data_2mff_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 2mff _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.475 HE22 ' CG2' ' A' ' 25' ' ' VAL . 11.2 tp60 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.486 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' C' ' 39' ' ' ASP . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' C' ' 37' ' ' PRO . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.539 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.539 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.405 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.519 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.454 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.454 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.457 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' ASP . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 37' ' ' PRO . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.535 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.535 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.452 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.453 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.451 HE22 ' CG2' ' C' ' 25' ' ' VAL . 13.4 tp60 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.451 ' CG2' HE22 ' A' ' 28' ' ' GLN . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.536 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.478 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.478 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.476 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.41 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.41 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' C' ' 28' ' ' GLN . 13.2 tp60 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.522 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 39' ' ' ASP . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 37' ' ' PRO . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.568 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' C' ' 39' ' ' ASP . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' C' ' 37' ' ' PRO . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.475 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.503 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.45 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 HE22 ' CG2' ' C' ' 25' ' ' VAL . 14.7 tp60 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.437 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . 0.443 ' CG2' HE22 ' A' ' 28' ' ' GLN . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.534 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.534 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.462 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.499 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.525 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 39' ' ' ASP . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' C' ' 37' ' ' PRO . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.434 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HZ1' ' HB3' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.509 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.509 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.406 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.456 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.55 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.468 HH21 ' HB ' ' C' ' 22' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.468 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 39' ' ' ASP . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' C' ' 37' ' ' PRO . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.532 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.532 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.403 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.519 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.519 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.578 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 39' ' ' ASP . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 37' ' ' PRO . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' C' ' 39' ' ' ASP . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' C' ' 37' ' ' PRO . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.556 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.556 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.521 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.521 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.533 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.524 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.424 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.524 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.454 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' C' ' 39' ' ' ASP . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' C' ' 37' ' ' PRO . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.473 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.413 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.439 HE22 ' CG2' ' A' ' 25' ' ' VAL . 10.7 tp60 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.514 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.514 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.408 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.408 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HE3' ' C4 ' ' D' ' 50' ' ' ' G' . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.4 -32.55 68.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -67.11 -17.49 64.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.34 -21.01 29.1 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.319 0.509 . . . . 0.0 109.681 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.8 mt -80.16 -37.53 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.903 0.481 . . . . 0.0 109.785 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.05 1.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.677 0.391 . . . . 0.0 110.832 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.01 61.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.62 24.24 0.06 OUTLIER Glycine 0 C--N 1.34 0.783 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.754 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 57' ' ' ALA . 1.9 pp -159.18 32.08 0.2 Allowed 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 118.239 1.02 . . . . 0.0 113.654 -169.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -64.86 3.56 0.53 Allowed 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.721 -0.612 . . . . 0.0 112.162 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 55' ' ' LEU . . . -138.11 73.61 44.53 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.877 1.271 . . . . 0.0 108.279 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.66 172.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 1 C-N-CA 125.354 4.036 . . . . 0.0 115.102 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.496 1.119 . . . . 0.0 113.297 -178.138 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.539 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.539 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 C4'-C3'-C2' 98.538 -4.162 . 0.754 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.536 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.306 -3.394 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.536 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.227 -2.182 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.551 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C4'-C3'-C2' 98.099 -4.601 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.552 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 C4'-C3'-C2' 98.59 -4.11 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.552 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 O4'-C1'-N19 111.722 3.522 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 110.899 2.699 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C5'-C4'-C3' 108.98 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C5'-C4'-C3' 109.936 -3.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 110.789 2.589 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.432 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.446 2.162 . 0.49 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O5'-C5'-C4' 114.698 3.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C5'-C4'-C3' 110.796 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.075 -3.625 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.436 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.012 -3.688 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.553 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.076 -3.624 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.553 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 98.882 -3.818 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.489 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.519 -3.181 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.551 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.325 -3.375 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.654 2.454 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.465 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.475 HE22 ' CG2' ' A' ' 25' ' ' VAL . 11.2 tp60 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.12 -32.78 70.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.39 -17.87 63.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.56 -21.87 30.29 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.926 0.785 . . . . 0.0 109.676 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.18 -40.65 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.41 2.27 33.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.471 0.308 . . . . 0.0 111.486 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.38 -17.4 62.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.14 31.17 0.08 OUTLIER Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.059 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.43 -41.22 0.12 Allowed 'General case' 0 N--CA 1.458 -0.058 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -171.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.27 27.69 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.849 1.26 . . . . 0.0 113.609 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.88 125.9 3.54 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -53.19 177.05 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.413 3.408 . . . . 0.0 114.261 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.708 179.203 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.494 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.494 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C4'-C3'-C2' 98.52 -4.18 . 0.784 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.323 -3.377 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.368 2.168 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 97.671 -5.029 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 111.796 3.596 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.487 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 N19-C1'-C2' 108.878 -2.826 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.487 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.466 3.266 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.557 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.176 2.974 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.557 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.742 -2.958 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.464 ' C4 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.619 2.589 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.483 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 103.718 2.464 . 0.479 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.465 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O5'-C5'-C4' 115.658 3.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.483 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 111.144 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.563 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.872 -3.828 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.563 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.054 -3.646 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.626 -3.074 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.428 HO2' " H5'" ' D' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C4'-C3'-C2' 99.104 -3.596 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.498 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.541 -3.159 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.551 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.186 -3.514 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.034 2.834 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -58.89 -32.94 69.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.22 -18.22 63.87 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.17 -22.19 31.05 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.641 0.655 . . . . 0.0 109.753 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.2 mt -80.21 -41.4 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.49 2.51 32.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -15.8 48.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.14 30.39 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.901 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 -40.36 0.13 Allowed 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 43.39 24.28 0.05 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.175 0.99 . . . . 0.0 113.17 -171.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.73 67.26 4.79 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 123.603 0.761 . . . . 0.0 109.946 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.36 -31.26 9.23 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.399 3.399 . . . . 0.0 114.358 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 122.528 0.331 . . . . 0.0 110.286 -174.555 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.758 -2.942 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 1 C4'-C3'-C2' 98.56 -4.14 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.472 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.103 -3.597 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.472 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-C3' 112.433 -2.045 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 C4'-C3'-C2' 98.006 -4.694 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.454 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.067 -3.633 . 0.509 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.516 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.53 -3.17 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.516 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.368 -3.332 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.402 " H4'" ' OP1' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-O3' 119.201 3.308 OUTLIER-EPSILON 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.41 ' H21' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.818 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.485 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.852 2.614 . 0.509 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O5'-C5'-C4' 115.456 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.485 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 P-O3'-C3' 124.675 4.146 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.528 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 98.807 -3.893 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.528 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.123 -3.577 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.507 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.326 -3.374 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.507 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.611 -4.089 . 0.782 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.484 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.428 -3.272 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.567 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.17 -3.53 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.567 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.868 2.668 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.487 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' C' ' 39' ' ' ASP . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' C' ' 37' ' ' PRO . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.539 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.539 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.59 -31.45 66.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -72.46 -18.63 61.67 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -85.39 -21.34 28.87 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -79.01 -51.21 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -69.96 1.99 3.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -11.66 61.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.021 0.528 . . . . 0.0 112.323 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.57 16.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.359 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.48 -168.17 1.93 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.918 0.859 . . . . 0.0 111.03 -169.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m -141.44 -2.88 1.21 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.398 0.279 . . . . 0.0 111.454 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 114.2 2.57 Favored Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 121.604 -0.685 . . . . 0.0 110.79 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.49 178.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 124.32 3.347 . . . . 0.0 113.47 171.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.078 -179.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.508 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.508 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.528 1 C4'-C3'-C2' 98.44 -4.26 . 0.769 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.494 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.227 -3.473 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.494 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.322 2.122 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 2 C4'-C3'-C2' 98.256 -4.444 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.92 -3.78 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.566 -3.134 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.526 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.94 -2.76 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.553 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C5'-C4'-C3' 109.86 -3.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.553 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.771 2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.646 0 O4'-C1'-N19 110.779 2.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.491 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C3'-C2'-C1' 103.722 2.469 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.487 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O5'-C5'-C4' 115.418 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.491 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.547 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.003 -3.697 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.547 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.128 -3.572 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.482 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.421 -3.279 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.482 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.08 -3.62 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.406 -3.294 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.569 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.474 -3.226 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.569 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.191 -2.509 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.519 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HA ' HG12 ' A' ' 51' ' ' ILE . 89.2 t80 -58.75 -29.68 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.95 -18.3 62.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 122.073 -0.392 . . . . 0.0 111.579 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -84.7 -20.45 31.18 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 HG12 ' HA ' ' A' ' 48' ' ' TYR . 10.5 mm -72.02 -61.69 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -66.56 1.4 1.74 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.778 0.831 . . . . 0.0 111.968 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -11.64 56.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.983 0.513 . . . . 0.0 111.7 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.01 15.69 0.04 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.918 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.7 178.9 6.94 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.533 1.167 . . . . 0.0 112.256 -169.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m -153.24 -20.89 0.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.353 0.661 . . . . 0.0 110.666 172.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.81 71.91 8.79 Favored Pre-proline 0 N--CA 1.454 -0.257 0 O-C-N 122.247 -0.283 . . . . 0.0 111.283 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.75 179.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.19 3.26 . . . . 0.0 113.328 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.059 179.746 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 100.101 -2.599 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.174 -4.526 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.117 -3.583 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.501 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 110.446 2.246 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 2 C4'-C3'-C2' 97.718 -4.982 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.586 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 98.838 -3.862 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.586 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.349 -3.351 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.674 3.474 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.564 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.371 3.19 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.564 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.902 -2.798 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.446 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.458 0 C3'-C2'-C1' 103.489 2.21 . 0.495 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O5'-C5'-C4' 115.036 3.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.446 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C5'-C4'-C3' 110.385 -3.41 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.033 -3.667 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.007 -3.693 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.27 -3.43 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.964 -3.736 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.457 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.412 -3.288 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.533 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.494 -3.206 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.533 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.981 -2.719 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.452 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.18 -32.16 69.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -69.45 -18.36 63.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.257 -0.401 . . . . 0.0 111.63 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.58 -21.57 28.44 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 118.981 0.81 . . . . 0.0 109.637 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.1 mt -78.85 -46.96 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -76.36 2.4 13.6 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.19 -12.3 49.77 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.76 20.26 0.06 OUTLIER Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.637 -0.535 . . . . 0.0 112.887 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.48 -166.76 1.58 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.886 0.843 . . . . 0.0 111.292 -168.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -144.4 5.73 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.155 0.582 . . . . 0.0 110.364 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.79 90.77 4.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.488 0.715 . . . . 0.0 109.674 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -44.02 142.0 4.14 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 124.18 3.253 . . . . 0.0 114.084 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 125.405 1.482 . . . . 0.0 114.226 176.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.453 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.523 -4.177 . 0.784 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.457 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.985 -3.715 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.457 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C5'-C4'-C3' 112.496 -2.003 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.538 HO2' " H5'" ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.78 2 O4'-C1'-N19 112.928 4.728 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.538 " H5'" HO2' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 112.117 3.917 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.517 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.468 -3.232 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C4'-C3'-C2' 98.834 -3.866 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.526 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.18 2.98 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.526 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.652 -3.048 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.954 0 O4'-C1'-N19 111.466 3.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.549 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C4'-C3'-C2' 98.438 -4.262 . 0.341 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.449 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O5'-C5'-C4' 115.784 3.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.549 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.874 -3.826 . 0.246 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 98.907 -3.793 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.482 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.151 -3.549 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.482 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.155 -3.545 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.413 -3.287 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.532 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.317 -3.383 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.532 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.669 -3.031 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.476 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.69 -29.53 66.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -73.12 -18.26 61.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.082 -0.387 . . . . 0.0 111.726 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.48 -21.7 35.45 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.0 -51.8 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -71.9 2.03 6.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.469 0.308 . . . . 0.0 111.47 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.83 60.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.863 0.465 . . . . 0.0 111.971 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.62 18.54 0.04 OUTLIER Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.106 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -162.05 -170.37 2.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.143 0.972 . . . . 0.0 111.446 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 7.46 0.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.652 0.381 . . . . 0.0 110.95 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.66 81.79 5.8 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 123.014 0.525 . . . . 0.0 110.359 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.37 176.12 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.76 3.64 . . . . 0.0 114.486 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.332 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 C4'-C3'-C2' 98.627 -4.073 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.532 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.119 -3.581 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.532 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C5'-C4'-C3' 111.531 -2.646 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 2 O4'-C1'-N19 112.831 4.631 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.533 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C4'-C3'-C2' 98.601 -4.099 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.533 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.375 -3.325 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.398 -3.302 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.404 H5'' ' C8 ' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.107 4.907 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C5'-C4'-C3' 111.099 -2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.394 0 C3'-C2'-C1' 103.772 2.524 . 0.427 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.476 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O5'-C5'-C4' 115.398 3.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.714 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 C4'-C3'-C2' 99.167 -3.533 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.132 -3.568 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.491 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 99.435 -3.265 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.491 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 98.77 -3.93 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.481 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.432 -3.268 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C4'-C3'-C2' 99.218 -3.482 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 110.793 2.593 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.49 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.454 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.454 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.13 -32.05 67.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.64 -18.19 64.87 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.32 -21.37 27.32 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.634 0.652 . . . . 0.0 110.04 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -80.59 -41.14 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -82.21 1.88 34.37 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.28 51.63 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.27 30.62 0.1 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.959 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -43.97 0.12 Allowed 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 43.52 20.46 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.856 1.262 . . . . 0.0 113.661 -172.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.36 72.54 3.4 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.094 0.558 . . . . 0.0 110.179 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.37 -170.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.922 3.748 . . . . 0.0 115.971 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-N 114.792 -1.094 . . . . 0.0 112.299 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.666 -3.034 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 98.725 -3.975 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.519 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.265 -3.435 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.519 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 110.375 2.175 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 C4'-C3'-C2' 97.442 -5.258 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.872 3.672 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.559 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.955 -2.745 . 0.511 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.559 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 110.837 2.637 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.536 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C5'-C4'-C3' 109.578 -3.948 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.536 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 110.928 -3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.458 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 112.241 -2.173 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.49 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O5'-C5'-C4' 115.712 3.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.458 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.408 " H5'" HO2' ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 98.936 -3.764 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.548 HO2' " H5'" ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.113 -3.587 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.548 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.478 -3.222 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.532 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.089 -3.611 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.471 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.325 -3.375 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.543 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.326 -3.374 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.543 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.987 -2.713 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.57 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.66 -31.75 66.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.4 -18.16 63.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.08 -21.85 27.46 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.937 0.79 . . . . 0.0 109.854 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.53 -40.94 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.29 2.08 33.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.489 0.316 . . . . 0.0 111.566 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.24 63.09 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.02 32.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.492 -0.616 . . . . 0.0 113.113 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.92 -37.44 0.1 Allowed 'General case' 0 C--N 1.338 0.108 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 40.85 28.05 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.606 1.162 . . . . 0.0 113.982 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.16 123.17 2.89 Favored Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.566 -0.709 . . . . 0.0 109.67 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -48.24 -42.25 33.72 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.838 3.025 . . . . 0.0 113.103 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.524 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.524 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.232 1 C4'-C3'-C2' 98.625 -4.075 . 0.786 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.503 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.159 -3.541 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.376 2.176 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 C4'-C3'-C2' 97.983 -4.717 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.869 3.669 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.65 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.415 3.215 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.65 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.909 2.709 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 C5'-C4'-C3' 108.979 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.592 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 C3'-C2'-C1' 103.673 2.415 . 0.493 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.469 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O5'-C5'-C4' 115.256 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C5'-C4'-C3' 110.39 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.548 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.034 -3.666 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.548 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C4'-C3'-C2' 98.674 -4.026 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.524 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.208 -3.492 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.524 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 98.801 -3.899 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.22 -3.48 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.577 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.28 -3.42 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.577 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.934 -2.766 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.457 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.5 -31.8 69.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.74 -18.01 62.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.18 -21.52 27.47 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-N 118.746 0.703 . . . . 0.0 109.905 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.98 -41.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.6 2.24 34.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.757 0.423 . . . . 0.0 111.757 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.99 -15.77 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.3 28.98 0.11 Allowed Glycine 0 CA--C 1.523 0.582 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.012 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.04 -41.75 0.13 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -171.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.37 28.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.185 0.994 . . . . 0.0 113.065 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.76 6.27 Favored Pre-proline 0 CA--C 1.53 0.186 0 C-N-CA 123.535 0.734 . . . . 0.0 110.388 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -44.66 146.99 1.93 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.441 3.428 . . . . 0.0 113.136 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.455 -0.18 0 C-N-CA 124.47 1.108 . . . . 0.0 112.633 179.268 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.499 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.927 -2.773 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.499 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 C4'-C3'-C2' 98.551 -4.149 . 0.781 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.959 -3.741 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.496 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 112.004 -2.331 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 2 C4'-C3'-C2' 97.796 -4.904 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 98.941 -3.759 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.061 -3.639 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.5 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.209 -3.491 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.411 " H4'" ' OP1' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-O3' 118.845 3.171 OUTLIER-EPSILON 0.764 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.411 ' OP1' " H4'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.838 1 P-O3'-C3' 126.215 5.429 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 0 C5'-C4'-C3' 110.776 -3.149 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.498 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C4'-C3'-C2' 100.465 -2.235 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.498 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C5'-C4'-C3' 110.622 -3.252 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.503 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 98.854 -3.846 . 0.338 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.503 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 C4'-C3'-C2' 98.612 -4.088 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.494 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.161 -3.539 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.494 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.124 -3.576 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.207 -3.493 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C4'-C3'-C2' 99.194 -3.506 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.819 -2.881 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 39' ' ' ASP . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 37' ' ' PRO . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -58.92 -32.13 69.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -69.4 -18.17 63.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.132 -0.355 . . . . 0.0 111.93 -178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -86.84 -21.74 26.23 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -69.71 -48.13 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -81.26 1.72 31.16 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.095 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.44 63.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.822 0.449 . . . . 0.0 111.616 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 27.54 0.11 Allowed Glycine 0 C--N 1.34 0.776 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.208 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.26 26.51 0.3 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -169.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -61.89 -8.78 5.48 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.985 0.811 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.71 78.07 12.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 124.959 1.304 . . . . 0.0 108.128 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.9 171.54 0.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 124.932 3.755 . . . . 0.0 114.59 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.496 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.507 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 C4'-C3'-C2' 98.356 -4.344 . 0.784 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.525 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.107 -3.593 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.525 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 112.154 -2.231 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 2 C4'-C3'-C2' 97.427 -5.273 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.475 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.231 -3.469 . 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.475 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 98.996 -3.704 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C4'-C3'-C2' 98.656 -4.044 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.557 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.847 2.647 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.557 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.639 0 C5'-C4'-C3' 110.421 -3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.534 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.38 2.088 . 0.466 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O5'-C5'-C4' 115.157 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.534 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C5'-C4'-C3' 110.363 -3.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.5 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.707 -3.993 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.5 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.985 -3.715 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.46 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.3 -3.4 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 98.989 -3.711 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C4'-C3'-C2' 99.252 -3.448 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.544 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.187 -3.513 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.544 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.616 -3.084 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.471 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.535 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.535 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.452 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.453 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.69 -32.33 67.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.03 -18.43 64.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.973 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.11 -21.36 26.05 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.692 0.678 . . . . 0.0 110.166 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.9 mt -79.84 -41.2 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -81.99 2.12 32.33 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.261 0.224 . . . . 0.0 111.512 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.36 58.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.74 30.13 0.11 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.633 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -41.13 0.13 Allowed 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.53 28.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.332 1.053 . . . . 0.0 113.116 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 124.85 3.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.139 0.576 . . . . 0.0 109.473 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.61 173.07 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.33 3.353 . . . . 0.0 114.617 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.061 0.944 . . . . 0.0 112.482 -179.343 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.465 -3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 C4'-C3'-C2' 98.401 -4.299 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.09 -3.61 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.788 2.588 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C4'-C3'-C2' 97.821 -4.879 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 C4'-C3'-C2' 98.517 -4.183 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.601 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.105 2.905 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.601 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 100.002 -2.698 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.49 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 C3'-C2'-C1' 105.389 4.321 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.49 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.598 0 O4'-C1'-N19 111.477 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.493 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C4'-C3'-C2' 98.051 -4.649 . 0.069 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.493 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O5'-C5'-C4' 116.471 4.48 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.448 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-C3' 110.838 -3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.099 -3.601 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.433 HO2' " H5'" ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.991 -3.709 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.48 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.045 -3.655 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.48 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.985 -3.715 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.404 " H5'" HO2' ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.133 -3.567 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.299 -3.401 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.888 -2.812 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.403 HG12 ' N7 ' ' B' ' 51' ' ' ' A' . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.451 HE22 ' CG2' ' C' ' 25' ' ' VAL . 13.4 tp60 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.402 ' HA ' HG12 ' A' ' 51' ' ' ILE . 87.7 t80 -56.7 -32.22 65.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -70.87 -17.99 62.7 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.958 -0.463 . . . . 0.0 111.795 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -83.05 -21.84 33.67 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -73.85 -46.39 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.47 2.36 33.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.369 0.668 . . . . 0.0 111.674 -176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.65 64.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.24 34.8 0.11 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-O 119.348 -0.695 . . . . 0.0 112.915 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.49 22.35 0.54 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 p -67.12 -4.85 11.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.115 0.87 . . . . 0.0 110.288 170.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.91 76.73 10.44 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 125.577 1.551 . . . . 0.0 107.657 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.78 171.99 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 1 C-N-CA 125.337 4.025 . . . . 0.0 114.691 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.717 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.498 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 98.786 -3.914 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.498 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 110.468 2.268 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 C4'-C3'-C2' 97.399 -5.301 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.578 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.154 -3.546 . 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.578 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.19 2.99 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 112.83 2.593 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.529 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 109.272 -4.152 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.529 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C4'-C3'-C2' 99.783 -2.917 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.477 0 C5'-C4'-C3' 111.127 -2.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.47 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 0 C3'-C2'-C1' 103.66 2.4 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O5'-C5'-C4' 114.673 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.47 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 98.919 -3.781 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.517 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 98.888 -3.812 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.565 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.135 -3.565 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.565 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 98.927 -3.773 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.411 " H5'" HO2' ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.545 -3.155 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.529 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.497 -3.203 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.529 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 110.895 2.695 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.451 ' CG2' HE22 ' A' ' 28' ' ' GLN . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.536 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.536 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.55 -32.12 71.19 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.84 -18.24 62.09 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.781 -0.575 . . . . 0.0 112.453 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -84.12 -21.4 31.43 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.549 0.613 . . . . 0.0 109.508 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -79.4 -41.25 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -82.46 2.07 34.52 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.407 0.283 . . . . 0.0 111.327 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -16.93 58.82 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.01 29.68 0.09 OUTLIER Glycine 0 C--N 1.34 0.784 0 CA-C-O 119.551 -0.583 . . . . 0.0 113.14 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.01 -41.22 0.13 Allowed 'General case' 0 C--N 1.337 0.063 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 40.73 27.31 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.575 1.15 . . . . 0.0 113.61 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 124.83 3.31 Favored Pre-proline 0 N--CA 1.452 -0.373 0 O-C-N 121.614 -0.679 . . . . 0.0 109.275 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.24 175.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.332 3.355 . . . . 0.0 114.275 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.723 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.896 -2.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.507 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C4'-C3'-C2' 98.638 -4.062 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.076 -3.624 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.484 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 110.348 2.148 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 2 C4'-C3'-C2' 97.757 -4.943 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 1 O4'-C1'-N19 112.226 4.026 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.516 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.571 -3.129 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.516 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.921 -2.779 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.462 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 C3'-C2'-C1' 105.256 4.173 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.462 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.776 2.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C5'-C4'-C3' 111.18 -2.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.553 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C3'-C2'-C1' 103.513 2.236 . 0.469 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O5'-C5'-C4' 114.839 3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.553 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.489 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.186 -3.514 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.489 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.936 -3.764 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.503 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.556 -3.144 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.503 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.077 -3.623 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 111.217 3.017 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.558 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.567 -3.133 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.558 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 111.209 3.009 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' CG1' ' A' ' 51' ' ' ILE . 87.1 t80 -57.95 -31.86 67.26 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.85 -17.44 63.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.08 -21.3 27.76 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 48' ' ' TYR . 13.2 mm -70.56 -55.1 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -71.82 2.29 5.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.347 0.659 . . . . 0.0 111.607 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.02 61.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.892 0.477 . . . . 0.0 112.194 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.47 20.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.359 -0.689 . . . . 0.0 113.633 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -163.2 -166.24 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.009 0.904 . . . . 0.0 111.486 -169.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -143.45 6.32 1.47 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.04 4.74 Favored Pre-proline 0 N--CA 1.452 -0.351 0 O-C-N 121.693 -0.629 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.0 -179.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 124.901 3.734 . . . . 0.0 112.859 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 123.469 0.707 . . . . 0.0 111.603 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.52 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.525 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.74 -3.96 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.525 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.066 -3.634 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.489 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.472 -2.019 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 C4'-C3'-C2' 97.963 -4.737 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C4'-C3'-C2' 98.61 -4.09 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.54 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.278 -3.422 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.54 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.403 -3.297 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.478 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.715 3 C3'-C2'-C1' 105.26 4.178 OUTLIER-DELTA 0.091 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.478 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 110.734 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 111.081 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.556 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C3'-C2'-C1' 103.605 2.339 . 0.467 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.158 3.542 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.556 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-C3' 110.77 -3.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 98.843 -3.857 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.46 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.829 -3.871 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.472 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.186 -3.514 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.472 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.013 -3.687 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.424 -3.276 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.536 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.295 -3.405 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.536 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.009 2.809 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.478 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.478 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.476 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.75 -32.75 69.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -71.0 -18.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.015 -0.428 . . . . 0.0 111.996 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.57 -21.43 26.87 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.318 0.508 . . . . 0.0 109.635 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.3 -49.09 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.17 1.94 10.13 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.72 -14.33 62.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.38 24.55 0.03 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.065 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -167.3 -168.7 1.1 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.147 0.974 . . . . 0.0 111.601 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 4.4 m -142.26 -0.26 1.28 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.314 0.646 . . . . 0.0 110.086 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.01 89.56 4.28 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 123.999 0.92 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -43.97 133.56 8.32 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 124.271 3.314 . . . . 0.0 113.621 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 125.131 1.373 . . . . 0.0 114.085 177.566 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.94 -2.76 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.491 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C4'-C3'-C2' 98.461 -4.239 . 0.789 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.064 -3.636 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 110.179 1.979 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 2 C4'-C3'-C2' 97.833 -4.867 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.551 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.869 3.669 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.551 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 N19-C1'-C2' 108.567 -3.02 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.526 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.18 2.98 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.526 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 112.039 3.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.526 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.431 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.618 2.511 0 O4'-C1'-N19 110.77 2.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.558 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C4'-C3'-C2' 98.806 -3.894 . 0.334 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.441 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 O5'-C5'-C4' 116.017 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.558 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 110.686 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.54 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 C4'-C3'-C2' 98.972 -3.728 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.54 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.968 -3.732 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.514 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.519 -3.181 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.514 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 98.967 -3.733 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.476 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.123 -3.577 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.559 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.006 -3.694 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.559 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.049 2.849 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.49 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -58.06 -31.91 67.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.47 -17.93 64.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.661 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.05 -21.89 29.21 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.0 mm -73.08 -45.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -82.5 2.02 34.9 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.517 0.727 . . . . 0.0 111.335 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.23 -17.04 64.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.14 0.576 . . . . 0.0 112.08 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.68 34.81 0.14 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.079 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -152.7 22.61 0.6 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 p -67.84 -7.58 29.09 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.138 0.881 . . . . 0.0 109.866 170.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.59 75.74 8.46 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 125.571 1.548 . . . . 0.0 107.701 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.18 170.59 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 1 C-N-CA 125.319 4.013 . . . . 0.0 114.954 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 124.31 1.044 . . . . 0.0 112.464 -179.021 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.499 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.499 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 C4'-C3'-C2' 98.487 -4.213 . 0.762 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.495 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.049 -3.651 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.495 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 112.24 -2.173 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.56 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.01 2 C4'-C3'-C2' 98.065 -4.635 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.56 " H5'" HO2' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 98.819 -3.881 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.522 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.826 -2.874 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.522 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.963 -2.737 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.522 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 109.659 -3.894 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.522 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.546 0 O4'-C1'-N19 111.025 2.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C3'-C2'-C1' 103.771 2.523 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.49 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 O5'-C5'-C4' 115.991 4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.498 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 98.892 -3.808 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.498 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.263 -3.437 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.31 -3.39 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.404 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.944 -3.756 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.404 " H5'" HO2' ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.428 -3.272 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.126 -3.574 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 110.731 2.531 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.482 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.41 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.41 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' C' ' 28' ' ' GLN . 13.2 tp60 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.522 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.522 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.24 -34.26 72.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.32 -18.11 65.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 -21.58 26.51 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.793 0.724 . . . . 0.0 109.891 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 59.6 mt -77.45 -40.38 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -82.17 1.46 36.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.658 0.383 . . . . 0.0 111.158 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.22 -16.98 64.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.785 0.434 . . . . 0.0 112.034 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.88 30.65 0.09 OUTLIER Glycine 0 C--N 1.339 0.747 0 CA-C-O 119.479 -0.623 . . . . 0.0 113.171 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.43 30.82 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -169.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -66.66 -1.82 4.18 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.452 -0.78 . . . . 0.0 111.299 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.88 72.58 12.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.6 1.16 . . . . 0.0 108.852 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.48 173.89 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 1 C-N-CA 125.33 4.02 . . . . 0.0 114.826 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.27 1.028 . . . . 0.0 112.285 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.497 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 C4'-C3'-C2' 98.449 -4.251 . 0.779 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.497 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.269 -3.431 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.478 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 112.322 -2.118 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 2 C4'-C3'-C2' 97.781 -4.919 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.025 -3.675 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.624 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.357 -3.343 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.624 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.437 3.237 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.632 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.924 3.724 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.632 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.917 -2.783 . 0.028 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.157 -2.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.44 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.75 2.5 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.482 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O5'-C5'-C4' 115.435 3.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.44 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.533 -2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.018 -3.682 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.534 HO2' " H5'" ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.994 -3.706 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.544 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.422 -3.278 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.544 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.002 -3.698 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.46 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.478 -3.222 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.46 " H5'" HO2' ' D' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.366 -3.334 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.748 -2.952 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 39' ' ' ASP . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 37' ' ' PRO . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.568 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.89 -32.33 69.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.68 -18.36 63.55 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.06 -21.15 27.86 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.363 0.529 . . . . 0.0 109.823 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.58 -41.58 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.2 2.1 33.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.586 0.354 . . . . 0.0 111.105 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.27 61.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.212 0.605 . . . . 0.0 112.426 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.17 30.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.318 -0.712 . . . . 0.0 113.118 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.09 -41.59 0.13 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.375 1.088 . . . . 0.0 113.768 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 37.92 36.89 0.11 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.547 1.139 . . . . 0.0 113.274 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 66.07 7.27 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 123.022 0.529 . . . . 0.0 110.853 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.55 149.83 12.8 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 124.141 3.227 . . . . 0.0 113.494 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 124.842 1.257 . . . . 0.0 112.732 176.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.187 -3.513 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.495 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.742 -3.958 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.408 -3.292 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.513 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.163 -2.224 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 2 C4'-C3'-C2' 97.743 -4.957 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.534 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.836 3.636 . 0.399 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.534 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.839 -2.861 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.514 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.529 3.329 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 111.55 3.35 OUTLIER-EPSILON 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 1 P-O3'-C3' 126.128 5.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.487 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C3'-C2'-C1' 103.723 2.47 . 0.497 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.474 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 O5'-C5'-C4' 115.396 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.487 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 98.807 -3.893 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.514 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.2 -3.5 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.514 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.647 -3.053 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.402 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.891 -3.809 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.506 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.292 -3.408 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.561 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.504 -3.196 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.561 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.025 2.825 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.489 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' C' ' 39' ' ' ASP . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' C' ' 37' ' ' PRO . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.475 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.41 -32.76 70.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -69.46 -18.33 63.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.044 -177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.94 -22.06 29.36 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.998 0.817 . . . . 0.0 109.664 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.29 -40.8 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.16 2.24 32.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.587 0.355 . . . . 0.0 111.718 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.31 58.19 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.83 31.24 0.1 OUTLIER Glycine 0 C--N 1.339 0.739 0 CA-C-O 119.414 -0.659 . . . . 0.0 112.975 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -42.04 0.12 Allowed 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 40.46 27.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.472 1.109 . . . . 0.0 113.216 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.74 126.39 3.72 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.245 0.618 . . . . 0.0 109.402 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.18 173.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 124.589 3.526 . . . . 0.0 114.295 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.728 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.466 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.419 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.345 -4.355 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.502 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 98.954 -3.746 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.502 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 110.331 2.131 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 2 O4'-C1'-N19 113.262 5.062 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.572 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 C4'-C3'-C2' 98.666 -4.034 . 0.444 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.572 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.18 2.98 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.853 -2.847 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.482 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 C5'-C4'-C3' 108.966 -4.356 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.482 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.514 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.86 2.622 . 0.474 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.489 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.514 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.556 -3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.9 -3.8 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.487 HO2' " H5'" ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.193 -3.507 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.516 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.393 -3.307 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.516 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.017 -3.683 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.401 " H5'" HO2' ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.152 -3.548 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.553 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.403 -3.297 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.553 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 110.932 2.732 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.503 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.45 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 HE22 ' CG2' ' C' ' 25' ' ' VAL . 14.7 tp60 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.464 ' HA ' ' CG1' ' A' ' 51' ' ' ILE . 80.4 t80 -57.77 -33.22 68.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -66.54 -16.89 64.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.634 0.374 . . . . 0.0 111.885 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.83 -30.6 21.37 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.518 ' HA ' HD11 ' A' ' 55' ' ' LEU . 12.2 mm -59.93 -44.97 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 C-N-CA 123.15 0.58 . . . . 0.0 109.586 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.478 HE22 ' CG2' ' A' ' 56' ' ' THR . 48.7 mm-40 -83.26 1.98 38.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.231 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -13.31 57.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 122.294 -0.254 . . . . 0.0 110.936 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.89 36.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.988 -0.896 . . . . 0.0 113.39 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 51' ' ' ILE . 51.4 mt -120.62 -8.46 9.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.675 1.237 . . . . 0.0 113.323 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.478 ' CG2' HE22 ' A' ' 52' ' ' GLN . 46.1 p -74.51 0.13 15.75 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.192 0.451 . . . . 0.0 112.13 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.04 73.81 10.13 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 122.972 0.509 . . . . 0.0 110.363 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -52.77 176.23 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.733 3.622 . . . . 0.0 114.06 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 CA--C 1.53 0.178 0 C-N-CA 123.966 0.907 . . . . 0.0 112.39 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.846 -3.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 C4'-C3'-C2' 98.276 -4.424 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.489 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.182 -3.518 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.489 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 110.497 2.297 . 0.554 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.526 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.581 5.381 . 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.539 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.976 3.776 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.543 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.418 -3.282 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.543 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.867 3.667 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.607 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 111.202 3.002 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.607 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.059 2.859 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . 0.411 ' C4 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.215 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.489 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C3'-C2'-C1' 103.442 2.157 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O5'-C5'-C4' 114.787 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.489 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.845 -3.855 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 98.941 -3.759 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.491 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.41 -3.29 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.402 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.958 -3.742 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.514 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.03 -3.67 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.457 -3.243 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.079 2.879 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.437 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . 0.443 ' CG2' HE22 ' A' ' 28' ' ' GLN . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.411 ' HE2' ' C4 ' ' B' ' 50' ' ' ' G' . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.534 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.534 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.21 -29.49 67.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -75.01 -18.47 60.35 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -83.9 -21.48 31.9 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.47 -56.73 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -67.01 1.72 1.82 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -13.93 59.23 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.966 0.506 . . . . 0.0 111.556 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.19 16.28 0.05 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.826 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -163.22 178.58 8.09 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.659 1.23 . . . . 0.0 113.069 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -150.06 1.64 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.915 0.886 . . . . 0.0 110.947 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.97 82.8 4.4 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 122.966 0.507 . . . . 0.0 110.305 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.02 -169.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 125.201 3.934 . . . . 0.0 116.116 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.45 -0.436 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.522 -170.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.548 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.323 -3.377 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.548 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 C4'-C3'-C2' 98.41 -4.29 . 0.759 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.512 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.389 -3.311 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O4'-C1'-N19 110.094 1.894 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.537 HO2' " H5'" ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.611 2 O4'-C1'-N19 112.864 4.664 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.537 " H5'" HO2' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.925 -3.775 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.505 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.934 -2.766 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.505 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 100.002 -2.698 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.498 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.814 1 C5'-C4'-C3' 108.554 -4.631 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.498 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.441 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.622 2.876 0 O4'-C1'-N19 111.818 3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.601 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C4'-C3'-C2' 98.377 -4.323 . 0.481 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.439 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.518 3.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.601 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.854 -3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.539 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 98.81 -3.89 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.539 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.005 -3.695 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.486 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.288 -3.412 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.402 HO2' " H5'" ' D' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.887 -3.813 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.402 " H5'" HO2' ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.315 -3.385 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.565 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 99.139 -3.561 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.565 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.86 -2.84 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.462 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' HA ' HG12 ' A' ' 51' ' ' ILE . 90.4 t80 -57.64 -31.29 66.13 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.49 -17.25 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.308 -0.245 . . . . 0.0 111.341 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.25 -21.33 27.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -71.34 -53.36 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -74.11 2.03 9.82 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.361 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.65 63.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.984 0.514 . . . . 0.0 111.694 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 23.84 0.07 OUTLIER Glycine 0 CA--C 1.527 0.83 0 CA-C-O 119.528 -0.596 . . . . 0.0 113.238 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -161.81 -165.44 1.26 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.101 0.951 . . . . 0.0 112.268 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 m -137.73 -6.68 1.69 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.763 0.425 . . . . 0.0 111.278 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.32 116.92 4.05 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.17 168.11 0.13 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.631 3.554 . . . . 0.0 115.483 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.755 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.502 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.637 -4.063 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.502 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.539 -3.161 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.482 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 111.895 -2.404 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.584 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.995 2 O4'-C1'-N19 112.43 4.23 . 0.634 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.584 " H5'" HO2' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.184 -3.516 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.969 2.769 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.859 -2.841 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.486 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C5'-C4'-C3' 109.053 -4.298 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.486 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 110.904 2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.369 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.574 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C3'-C2'-C1' 103.475 2.194 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 O5'-C5'-C4' 114.661 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.574 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 110.291 -3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.547 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 C4'-C3'-C2' 98.424 -4.276 . 0.39 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.547 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.895 -3.805 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.538 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.552 -3.148 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.907 -3.793 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.442 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.554 -3.146 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.442 " H5'" HO2' ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.109 -3.591 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 100.183 -2.517 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . 0.442 ' HA2' ' P ' ' B' ' 44' ' ' ' U' . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.499 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -58.7 -32.05 68.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.15 -18.56 63.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -83.45 -21.25 32.96 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.664 0.666 . . . . 0.0 109.597 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.38 -53.04 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.43 2.1 2.57 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 122.225 -0.297 . . . . 0.0 111.619 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.14 -14.48 61.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.53 18.73 0.06 OUTLIER Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.927 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -162.74 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.239 1.02 . . . . 0.0 112.81 -168.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.9 p -144.99 9.27 1.28 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.495 1.118 . . . . 0.0 110.631 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.51 120.11 3.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.95 -38.39 31.16 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.985 3.123 . . . . 0.0 113.666 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.453 -0.302 0 O-C-N 123.143 0.277 . . . . 0.0 111.356 -175.729 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.787 -2.913 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C4'-C3'-C2' 98.476 -4.224 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.51 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.188 -3.512 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.476 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.416 2.216 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.558 HO2' " H5'" ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 97.567 -5.133 . 0.527 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.558 " H5'" HO2' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.94 3.74 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.701 -2.999 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 110.779 2.579 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.53 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.8 2 O4'-C1'-N19 112.512 4.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.53 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.431 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.54 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 C4'-C3'-C2' 98.678 -4.022 . 0.513 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.428 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O5'-C5'-C4' 116.329 4.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.54 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.581 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 98.822 -3.878 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.581 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.031 -3.669 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.917 -2.783 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.082 -3.618 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.492 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.373 -3.327 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.515 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.179 -3.521 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.515 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 111.053 2.853 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.525 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.52 -32.44 67.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -70.54 -17.7 62.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -82.68 -21.69 34.82 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.7 -41.06 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -79.64 1.91 24.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.917 -0.49 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.6 59.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.055 0.542 . . . . 0.0 111.399 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.64 27.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.443 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' C ' ' HG1' ' A' ' 56' ' ' THR . 16.4 mt -135.4 -166.83 1.91 Allowed 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.468 1.134 . . . . 0.0 110.985 -173.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.403 ' HG1' ' C ' ' A' ' 55' ' ' LEU . 2.0 m 95.13 -7.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.694 2.398 . . . . 0.0 110.741 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.67 70.88 6.66 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.287 0.635 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.31 174.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.727 3.618 . . . . 0.0 114.788 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.89 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.513 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 98.314 -4.386 . 0.781 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.527 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.166 -3.534 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.527 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.515 -2.657 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 2 C4'-C3'-C2' 98.022 -4.678 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 98.736 -3.964 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.679 -3.021 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.675 -3.025 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.527 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.814 3 O4'-C1'-N19 112.854 4.654 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.527 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 110.975 2.775 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 O4'-C1'-N19 111.234 3.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.478 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C3'-C2'-C1' 103.581 2.312 . 0.491 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 O5'-C5'-C4' 115.549 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.478 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.493 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.132 -3.568 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.448 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.443 -3.257 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.448 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.308 -3.392 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.4 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 98.779 -3.921 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.4 " H5'" HO2' ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.442 -3.258 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.537 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.537 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.806 -2.894 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.485 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 39' ' ' ASP . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' C' ' 37' ' ' PRO . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.434 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.4 -32.99 70.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.41 -18.32 63.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -85.45 -21.88 28.53 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.592 0.633 . . . . 0.0 109.629 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.3 mt -79.11 -48.27 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -73.99 2.05 9.54 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -12.2 53.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.01 0.524 . . . . 0.0 112.275 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.92 19.49 0.05 OUTLIER Glycine 0 CA--C 1.528 0.871 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.982 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.21 -168.04 1.94 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.791 0.795 . . . . 0.0 111.378 -169.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -143.83 2.77 1.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 110.671 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 120.03 3.76 Favored Pre-proline 0 N--CA 1.454 -0.262 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -45.69 -34.54 11.74 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.561 3.507 . . . . 0.0 114.256 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.449 -0.492 0 C-N-CA 122.571 0.349 . . . . 0.0 110.061 -174.245 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.137 -3.563 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.503 HO2' " H5'" ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.456 -4.244 . 0.745 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.503 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.338 -3.362 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C5'-C4'-C3' 112.044 -2.304 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 2 C4'-C3'-C2' 97.775 -4.925 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.558 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.337 -3.363 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.558 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.241 3.041 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.487 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.726 2 C3'-C2'-C1' 105.301 4.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.487 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.618 2.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.422 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.623 2.965 0 C5'-C4'-C3' 110.82 -3.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.432 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 103.714 2.461 . 0.454 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.485 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.651 3.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.614 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 98.954 -3.746 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.614 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.108 -3.592 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.82 -2.88 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.548 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.93 -3.77 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.467 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.492 -3.208 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.521 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.031 -3.669 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.521 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.809 2.609 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.46 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HZ1' ' HB3' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' CG1' ' A' ' 51' ' ' ILE . 88.5 t80 -58.21 -30.72 66.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.52 -17.81 63.62 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.13 -21.64 27.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 48' ' ' TYR . 10.6 mm -71.64 -46.72 61.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -82.16 2.14 32.97 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.536 0.734 . . . . 0.0 111.315 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.6 64.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.17 35.72 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.073 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.76 26.14 0.44 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -169.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 p -67.16 -4.42 10.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.207 0.912 . . . . 0.0 110.83 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.38 72.5 8.35 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.129 1.372 . . . . 0.0 108.48 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.72 -40.24 31.13 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 124.386 3.391 . . . . 0.0 113.597 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 122.904 0.482 . . . . 0.0 110.633 -177.103 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 99.464 -3.236 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.518 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.769 -3.931 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.518 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.922 -3.778 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 110.281 2.081 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.548 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.738 2 C4'-C3'-C2' 98.274 -4.426 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.548 " H5'" HO2' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.965 3.765 . 0.464 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.525 -3.175 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.51 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 98.994 -3.706 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.567 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.327 3.127 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.567 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.833 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.424 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C4'-C3'-C2' 100.297 -2.403 . 0.473 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.46 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O5'-C5'-C4' 115.482 3.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.424 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C5'-C4'-C3' 110.978 -3.015 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.009 -3.691 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.485 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.048 -3.652 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.485 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.445 -3.255 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.427 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.968 -3.732 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C4'-C3'-C2' 99.262 -3.438 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.295 -3.405 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C4'-C3'-C2' 100.013 -2.687 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.498 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.509 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.509 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.406 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.456 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.55 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.04 -30.11 67.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.42 -17.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -85.31 -21.44 28.96 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 118.721 0.692 . . . . 0.0 109.354 175.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.15 -57.04 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.54 0.69 2.86 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -10.89 54.91 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.94 0.496 . . . . 0.0 111.915 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.56 13.54 0.03 OUTLIER Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.082 -0.843 . . . . 0.0 113.518 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.15 -176.2 5.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.373 1.087 . . . . 0.0 111.214 -169.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -147.98 5.85 0.77 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.174 -0.329 . . . . 0.0 111.163 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 123.61 4.63 Favored Pre-proline 0 C--O 1.232 0.174 0 O-C-N 122.028 -0.42 . . . . 0.0 110.104 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.14 176.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.686 3.591 . . . . 0.0 113.823 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 124.033 0.933 . . . . 0.0 112.429 -178.411 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 C4'-C3'-C2' 98.331 -4.369 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.447 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.053 -3.647 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.447 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 110.692 2.492 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 2 C4'-C3'-C2' 98.319 -4.381 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.532 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 98.884 -3.816 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.559 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.343 -3.357 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.559 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.685 -3.015 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 110.616 -3.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.541 HO2' " C5'" ' D' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.541 " C5'" HO2' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C3'-C2'-C1' 103.725 2.473 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.498 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O5'-C5'-C4' 115.392 3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.523 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.045 -3.655 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.523 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C4'-C3'-C2' 99.07 -3.63 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.525 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.262 -3.438 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.525 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 98.989 -3.711 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.485 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.234 -3.466 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.485 " H5'" HO2' ' D' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.263 -3.437 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 100.059 -2.641 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' ' 51' ' ' ILE . 86.8 t80 -58.55 -31.58 68.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.72 -16.71 63.38 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 122.113 -0.367 . . . . 0.0 111.669 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.37 -22.01 28.61 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.0 mm -72.45 -46.27 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.4 2.03 34.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.561 0.744 . . . . 0.0 111.295 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -16.56 64.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.2 34.96 0.15 Allowed Glycine 0 C--N 1.339 0.746 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.998 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.78 22.84 0.59 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -67.64 -8.06 31.65 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.899 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.84 75.91 9.84 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.527 1.531 . . . . 0.0 107.517 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.28 171.86 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 125.13 3.886 . . . . 0.0 114.799 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 112.95 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.532 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.532 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 C4'-C3'-C2' 98.538 -4.162 . 0.775 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.508 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.101 -3.599 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C5'-C4'-C3' 112.378 -2.081 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.532 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.018 2 C4'-C3'-C2' 98.167 -4.533 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.586 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.307 -4.393 . 0.525 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.586 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.342 -3.358 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.925 -2.775 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 1 C3'-C2'-C1' 105.749 4.721 OUTLIER-DELTA 0.39 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.23 -2.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . 0.421 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.727 0 O4'-C1'-N19 111.493 3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.588 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.515 1 C4'-C3'-C2' 98.224 -4.476 . 0.509 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.44 H5'' " C2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O5'-C5'-C4' 115.604 3.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.588 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C5'-C4'-C3' 110.88 -3.08 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.559 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.818 -3.882 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.559 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.137 -3.563 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.482 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.466 -3.234 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.42 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 98.924 -3.776 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.49 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.459 -3.241 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.547 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.232 -3.468 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.547 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.468 HH21 ' HB ' ' C' ' 22' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.468 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 1' ' ' MET . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 39' ' ' ASP . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.421 ' HE3' " O2'" ' B' ' 50' ' ' ' G' . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' C' ' 37' ' ' PRO . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.532 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.532 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -60.3 -28.65 68.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -15.87 61.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.634 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -85.16 -21.45 29.2 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.223 0.465 . . . . 0.0 109.837 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.82 -40.43 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 122.88 0.472 . . . . 0.0 109.842 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -81.94 2.38 30.95 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.496 0.318 . . . . 0.0 111.793 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -16.13 51.41 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.55 30.52 0.12 Allowed Glycine 0 C--N 1.339 0.745 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.165 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.76 -40.61 0.14 Allowed 'General case' 0 C--N 1.338 0.073 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -171.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 36.81 38.22 0.08 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.625 1.17 . . . . 0.0 112.818 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.79 75.12 6.97 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 122.896 0.478 . . . . 0.0 109.887 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.04 169.25 0.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.392 3.395 . . . . 0.0 115.004 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.53 -1.214 . . . . 0.0 113.217 -176.719 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.513 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.677 -3.023 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.513 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 C4'-C3'-C2' 98.185 -4.515 . 0.778 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.509 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.986 -3.714 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.462 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.153 1.953 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.517 HO2' " H5'" ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.863 2 O4'-C1'-N19 113.267 5.067 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 C4'-C3'-C2' 98.601 -4.099 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.531 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.586 -3.114 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.531 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.026 2.826 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.531 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 109.771 -3.82 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.531 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.475 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C3'-C2'-C1' 103.634 2.371 . 0.485 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 114.628 3.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.475 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-C3' 110.528 -3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.532 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C4'-C3'-C2' 98.935 -3.765 . 0.419 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.532 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 98.966 -3.734 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.52 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.302 -3.398 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.52 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.038 -3.662 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.485 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 99.174 -3.526 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.576 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.659 -3.041 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.576 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 100.08 -2.62 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -57.08 -31.91 65.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -70.3 -18.28 63.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.759 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -84.26 -21.17 31.21 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -72.0 -55.75 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.77 2.21 8.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.064 0.546 . . . . 0.0 112.182 -175.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.07 51.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.25 21.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.274 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -164.69 -167.01 1.15 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.17 0.985 . . . . 0.0 112.055 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m -144.0 1.86 1.14 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.02 0.528 . . . . 0.0 110.287 172.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.56 88.53 4.61 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 123.713 0.805 . . . . 0.0 109.248 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.52 170.71 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.713 3.609 . . . . 0.0 114.567 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 CA--C 1.53 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 112.244 -179.245 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.527 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.527 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C4'-C3'-C2' 98.474 -4.226 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.537 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.135 -3.565 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.537 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.268 -2.154 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 2 C4'-C3'-C2' 98.275 -4.425 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.552 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.654 -4.046 . 0.529 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.552 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.648 3.448 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.77 -2.93 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 2 O4'-C1'-N19 112.679 4.479 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 125.511 4.843 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O4'-C1'-N19 111.282 3.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.499 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 0 C3'-C2'-C1' 103.836 2.596 . 0.464 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.498 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O5'-C5'-C4' 115.86 4.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.499 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 98.911 -3.789 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.438 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.973 -3.727 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.49 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.106 -3.594 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.49 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 98.88 -3.82 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.474 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.222 -3.478 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.564 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.347 -3.353 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.564 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 100.054 -2.646 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.458 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.458 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.403 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.519 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.519 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.62 -30.83 61.61 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.8 -8.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.012 -0.518 . . . . 0.0 112.396 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -87.67 -38.59 15.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.019 0.827 . . . . 0.0 110.944 172.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.11 -26.66 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 126.359 1.863 . . . . 0.0 114.904 -169.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.559 ' NE2' ' H ' ' C' ' 52' ' ' GLN . 0.1 OUTLIER -130.06 2.33 4.77 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -11.19 60.72 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.953 -0.467 . . . . 0.0 112.087 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.18 11.34 1.05 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -161.62 174.52 13.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.02 0.528 . . . . 0.0 110.884 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -140.6 11.08 2.28 Favored 'General case' 0 N--CA 1.461 0.084 0 C-N-CA 123.457 0.703 . . . . 0.0 110.75 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.76 126.11 6.06 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.87 173.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 125.091 3.861 . . . . 0.0 114.418 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.267 1.027 . . . . 0.0 112.897 -177.364 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 111.432 -2.712 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.762 -3.938 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.47 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.195 -3.505 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.47 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.346 2.146 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 2 C4'-C3'-C2' 97.83 -4.87 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.711 -3.989 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.542 HO2' " H5'" ' D' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.354 -3.346 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.542 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.718 2.518 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.476 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 105.05 3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 110.827 2.627 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.512 -2.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.521 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 103.844 2.604 . 0.471 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O5'-C5'-C4' 115.143 3.531 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.521 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.528 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.053 -3.647 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.528 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.021 -3.679 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.509 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.525 -3.175 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.509 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.739 -3.961 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.44 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C4'-C3'-C2' 99.1 -3.6 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.568 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.157 -3.543 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.568 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.777 -2.923 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.578 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 39' ' ' ASP . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 37' ' ' PRO . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -58.83 -31.19 68.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.25 -18.26 63.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.34 -21.54 30.89 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.865 0.757 . . . . 0.0 109.51 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -79.28 -47.38 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.95 2.35 12.83 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 122.208 -0.307 . . . . 0.0 111.717 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.05 42.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 19.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.6 -0.556 . . . . 0.0 112.432 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.08 -166.7 1.63 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.823 0.811 . . . . 0.0 111.427 -169.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -144.13 3.51 1.21 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.822 0.449 . . . . 0.0 110.559 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.13 106.11 2.99 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.607 0.763 . . . . 0.0 108.971 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -50.99 173.3 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.425 3.417 . . . . 0.0 114.916 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.431 1.092 . . . . 0.0 112.335 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.503 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.292 1 C4'-C3'-C2' 98.599 -4.101 . 0.784 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.527 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.277 -3.423 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.527 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.163 1.963 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 C4'-C3'-C2' 97.917 -4.783 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 112.093 3.893 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.579 HO2' " H5'" ' B' ' 47' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.498 3.298 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.579 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.008 2.808 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C5'-C4'-C3' 109.658 -3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 109.834 -3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.488 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.836 1 C4'-C3'-C2' 98.141 -4.559 . 0.101 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.498 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O5'-C5'-C4' 116.438 4.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.454 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.911 -3.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.85 -3.85 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.452 HO2' " H5'" ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.282 -3.418 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.452 " H5'" HO2' ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.456 -3.244 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.401 HO2' " H5'" ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 98.831 -3.869 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.463 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.127 -3.573 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.463 " H5'" HO2' ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.438 -3.262 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' C' ' 39' ' ' ASP . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' C' ' 37' ' ' PRO . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.556 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.556 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.521 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.521 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.73 -27.47 63.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.34 -11.2 60.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.123 -0.361 . . . . 0.0 111.291 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -87.26 -37.87 16.82 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.302 0.501 . . . . 0.0 110.499 170.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 124.689 1.196 . . . . 0.0 112.311 -172.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.61 1.88 24.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.4 -13.64 60.41 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.283 -0.261 . . . . 0.0 110.632 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.99 24.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.071 -0.85 . . . . 0.0 113.157 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -126.33 -4.33 6.72 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.553 1.177 . . . . 0.0 112.675 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.5 p -71.96 -1.03 13.01 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.074 0.397 . . . . 0.0 111.863 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.72 69.76 10.24 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.192 0.597 . . . . 0.0 110.187 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -46.16 -37.55 18.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 124.466 3.444 . . . . 0.0 114.207 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.143 -174.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.511 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.511 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.439 1 C4'-C3'-C2' 98.286 -4.414 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.464 HO2' " H5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.05 -3.65 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.464 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.42 2.22 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 O4'-C1'-N19 113.094 4.894 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.593 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.781 -3.919 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.593 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.248 -3.452 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . 0.533 " H5'" HO2' ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C4'-C3'-C2' 99.033 -3.667 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.509 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C5'-C4'-C3' 109.012 -4.326 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.509 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.917 2.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C5'-C4'-C3' 111.484 -2.677 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.571 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 103.752 2.502 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O5'-C5'-C4' 115.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.571 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.49 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.061 -3.639 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.49 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C4'-C3'-C2' 98.845 -3.855 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.164 -3.536 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C4'-C3'-C2' 99.119 -3.581 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.443 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.333 -3.367 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.443 " H5'" HO2' ' D' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.12 -3.58 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.833 -2.867 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.533 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.11 -28.22 64.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.36 -17.05 61.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.832 -0.542 . . . . 0.0 112.018 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.16 -20.95 36.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.43 -55.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.61 0.48 3.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.14 -11.68 59.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.136 0.575 . . . . 0.0 112.025 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.68 13.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.414 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.28 -174.76 4.47 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.205 1.003 . . . . 0.0 111.141 -170.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -149.87 12.39 0.77 Allowed 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.151 -0.343 . . . . 0.0 111.354 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.49 123.12 5.77 Favored Pre-proline 0 N--CA 1.451 -0.4 0 O-C-N 121.938 -0.476 . . . . 0.0 110.786 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.48 -27.31 18.49 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.533 3.489 . . . . 0.0 114.356 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -170.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.739 -2.961 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.519 HO2' " H5'" ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.963 -3.737 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 112.067 -2.289 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 98.071 -4.629 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.148 -3.552 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.569 -3.131 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.775 3.575 . 0.598 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.519 HO2' " C5'" ' B' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . 0.519 " C5'" HO2' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.421 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.784 -3.144 . 0.481 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O5'-C5'-C4' 114.687 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.421 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 110.33 -3.446 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.271 -3.429 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.098 -3.602 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.557 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.236 -3.464 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.557 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.691 -4.009 . 0.756 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.492 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.395 -3.305 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.547 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.395 -3.305 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.547 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.109 2.909 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.524 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.424 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.524 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.454 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' C' ' 39' ' ' ASP . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' C' ' 37' ' ' PRO . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB3' ' HE2' ' C' ' 43' ' ' HIS . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.473 ' HE2' ' HB3' ' C' ' 41' ' ' ALA . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.435 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 91.2 t80 -62.05 -31.51 71.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.22 -18.06 64.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.158 -0.339 . . . . 0.0 111.512 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -84.49 -21.4 30.61 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 12.9 mm -74.06 -47.47 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.371 0.668 . . . . 0.0 109.72 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -82.23 2.27 32.62 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.712 0.805 . . . . 0.0 111.637 -176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.41 57.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.77 30.88 0.14 Allowed Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.519 -0.6 . . . . 0.0 113.129 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.94 -40.99 0.12 Allowed 'General case' 0 C--N 1.339 0.137 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -171.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 m 39.82 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.458 1.103 . . . . 0.0 113.63 -171.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.48 119.21 2.25 Favored Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 121.617 -0.677 . . . . 0.0 110.095 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.96 -178.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.272 3.314 . . . . 0.0 113.123 171.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 123.137 0.575 . . . . 0.0 111.645 177.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.529 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.529 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 C4'-C3'-C2' 98.44 -4.26 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.513 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.991 -3.709 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 110.5 2.3 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 2 O4'-C1'-N19 112.739 4.539 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.525 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C4'-C3'-C2' 98.592 -4.108 . 0.534 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.525 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.337 3.137 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.415 3.215 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.64 3.44 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.469 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C3'-C2'-C1' 103.538 2.264 . 0.507 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O5'-C5'-C4' 114.968 3.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.469 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.642 -3.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.564 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 98.919 -3.781 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.564 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.025 -3.675 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.467 " H5'" HO2' ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.283 -3.417 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.356 -3.344 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.301 -3.399 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.551 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.245 -3.455 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 100.135 -2.565 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.497 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.413 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.6 -32.4 70.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.79 -18.34 63.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -87.16 -21.73 25.75 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.766 0.712 . . . . 0.0 109.807 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -76.93 -41.45 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -82.09 1.97 33.46 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.249 0.22 . . . . 0.0 111.56 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -16.64 61.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.25 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.259 -0.745 . . . . 0.0 112.925 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.56 -40.76 0.12 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 118.481 1.14 . . . . 0.0 113.984 -171.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m 41.33 28.29 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.488 1.115 . . . . 0.0 113.474 -172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 123.05 3.1 Favored Pre-proline 0 N--CA 1.454 -0.237 0 O-C-N 121.758 -0.589 . . . . 0.0 109.776 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.3 170.24 0.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.961 3.107 . . . . 0.0 114.402 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.316 1.046 . . . . 0.0 112.854 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' B' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.812 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.404 1 C4'-C3'-C2' 98.551 -4.149 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . 0.493 HO2' " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.141 -3.559 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.493 " H5'" HO2' ' B' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 112.452 -2.032 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 2 C4'-C3'-C2' 97.884 -4.816 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.585 HO2' " H5'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.954 -3.746 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.585 " H5'" HO2' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.755 -2.945 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . 0.528 " H5'" HO2' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.756 -2.944 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.401 H5'' ' C8 ' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.982 2 C3'-C2'-C1' 105.391 4.324 . 0.699 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.555 HO2' " C5'" ' B' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 103.766 2.518 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . 0.555 " C5'" HO2' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 112.054 3.854 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . 0.531 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 C4'-C3'-C2' 98.345 -4.355 . 0.284 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.497 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 O5'-C5'-C4' 116.433 4.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . 0.531 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.874 0 C4'-C3'-C2' 99.596 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.498 " H5'" HO2' ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.734 -3.966 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.193 -3.507 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.48 -3.22 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.522 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.088 -3.612 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . 0.463 HO2' " H5'" ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.206 -3.494 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.463 " H5'" HO2' ' B' ' 58' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.275 -3.425 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 100.139 -2.561 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.439 HE22 ' CG2' ' A' ' 25' ' ' VAL . 10.7 tp60 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.514 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.514 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.24 -32.2 69.76 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.83 -18.46 63.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -85.53 -21.24 28.68 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 53.2 mt -81.29 -50.95 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -69.6 1.78 3.81 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -13.34 61.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.905 0.482 . . . . 0.0 111.832 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.2 19.29 0.06 OUTLIER Glycine 0 C--N 1.341 0.83 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.748 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -163.56 -172.5 2.93 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.489 1.145 . . . . 0.0 112.822 -168.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -142.8 9.83 1.77 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.754 0.822 . . . . 0.0 111.102 173.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.67 120.4 4.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.84 176.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.525 3.483 . . . . 0.0 114.733 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.736 177.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 100.065 -2.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.49 -4.21 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.377 -3.323 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 110.596 2.396 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 2 O4'-C1'-N19 113.3 5.1 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.528 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.863 3.663 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.528 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.749 -2.951 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.427 3.227 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . 0.634 HO2' " C5'" ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 O4'-C1'-N19 111.947 3.747 . 0.388 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . 0.634 " C5'" HO2' ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.342 3.142 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.426 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.381 2.09 . 0.487 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C3'-C2'-C1' 104.936 3.818 OUTLIER-EPSILON 0.01 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.426 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 P-O3'-C3' 124.59 4.075 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.543 HO2' " H5'" ' D' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.841 -3.859 . 0.885 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . 0.543 " H5'" HO2' ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.506 -3.194 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.534 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.401 -3.299 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.534 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 98.724 -3.976 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . 0.446 HO2' " H5'" ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.458 -3.242 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.566 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.216 -3.484 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.566 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.016 -2.684 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.444 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -59.55 -31.55 69.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -69.87 -18.26 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -84.01 -21.04 31.8 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.621 0.646 . . . . 0.0 109.383 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -80.05 -51.09 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.43 2.06 5.48 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.58 -11.45 58.13 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.123 0.569 . . . . 0.0 112.469 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.04 15.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.633 -0.537 . . . . 0.0 113.144 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -161.42 -167.9 1.87 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.667 0.734 . . . . 0.0 110.885 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -143.77 6.49 1.41 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.255 -0.278 . . . . 0.0 111.585 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 123.63 4.18 Favored Pre-proline 0 CA--C 1.53 0.176 0 O-C-N 121.992 -0.442 . . . . 0.0 110.735 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.49 176.71 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 125.004 3.803 . . . . 0.0 113.445 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.561 -177.459 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 C4'-C3'-C2' 98.396 -4.304 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 98.826 -3.874 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 110.321 2.121 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 O4'-C1'-N19 113.151 4.951 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C4'-C3'-C2' 98.375 -4.325 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.034 -2.666 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 110.885 2.685 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . 0.511 HO2' " C5'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 2 O4'-C1'-N19 112.266 4.066 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . 0.511 " C5'" HO2' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 110.85 2.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C5'-C4'-C3' 111.121 -2.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C3'-C2'-C1' 104.021 2.801 . 0.463 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ' A' . . . . . 0.444 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 115.224 3.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . 0.483 HO2' " H5'" ' B' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.71 -3.99 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ' G' . . . . . 0.483 " H5'" HO2' ' B' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 98.707 -3.993 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ' A' . . . . . 0.525 HO2' " H5'" ' B' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.01 -3.69 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ' U' . . . . . 0.525 " H5'" HO2' ' B' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.039 -3.661 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.498 -3.202 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ' C' . . . . . 0.566 HO2' " H5'" ' B' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.502 -3.198 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ' C' . . . . . 0.566 " H5'" HO2' ' B' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.888 -2.812 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.404 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.408 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.408 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' C' ' 43' ' ' HIS . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' C' ' 41' ' ' ALA . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.03 -32.28 67.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -18.44 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.69 -21.75 30.04 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 118.568 0.622 . . . . 0.0 109.557 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -79.46 -49.92 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -72.27 2.1 6.6 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -12.41 56.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.812 0.445 . . . . 0.0 112.14 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.16 20.03 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.624 -0.542 . . . . 0.0 113.386 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.62 -171.16 2.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.892 0.846 . . . . 0.0 111.811 -169.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m -146.03 22.71 1.38 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.356 0.663 . . . . 0.0 109.809 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.24 99.11 5.98 Favored Pre-proline 0 CA--C 1.531 0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.268 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.81 -40.19 24.65 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.652 3.568 . . . . 0.0 114.34 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -175.281 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.533 HO2' " H5'" ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.898 -2.802 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' ' G' . . . . . 0.533 " H5'" HO2' ' D' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.425 1 C4'-C3'-C2' 98.473 -4.227 . 0.785 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' ' G' . . . . . 0.532 " H5'" HO2' ' D' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 98.846 -3.854 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.506 " H5'" HO2' ' D' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.941 -2.373 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 97.867 -4.833 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' D' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.227 -3.473 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' ' G' . . . . . 0.555 " H5'" HO2' ' D' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 99.45 -3.25 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.985 -2.715 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 2 C5'-C4'-C3' 109.176 -4.216 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 109.152 -4.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' ' G' . . . . . 0.441 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.083 2.883 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' ' A' . . . . . 0.481 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.405 -3.981 1 C4'-C3'-C2' 98.222 -4.478 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' ' A' . . . . . 0.481 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O5'-C5'-C4' 115.863 4.045 OUTLIER-EPSILON 0.011 7d . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' D' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 P-O3'-C3' 124.62 4.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' ' C' . . . . . 0.402 " H5'" HO2' ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 98.762 -3.938 . 0.913 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.292 -3.408 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' ' A' . . . . . 0.516 HO2' " H5'" ' D' ' 57' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.299 -3.401 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ' U' . . . . . 0.516 " H5'" HO2' ' D' ' 56' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 98.999 -3.701 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.607 -3.093 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' ' C' . . . . . 0.549 HO2' " H5'" ' D' ' 60' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C4'-C3'-C2' 99.451 -3.249 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' ' C' . . . . . 0.549 " H5'" HO2' ' D' ' 59' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.817 -2.883 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.429 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.429 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.42 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.524 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.581 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.581 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.465 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.511 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.511 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.445 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.438 ' HG2' HD11 ' C' ' 3' ' ' ILE . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' C' ' 12' ' ' ILE . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.412 HD13 ' C ' ' C' ' 2' ' ' LEU . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.549 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.549 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.415 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.495 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 2' ' ' LEU . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.491 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.617 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.617 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.573 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.573 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 2' ' ' LEU . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HE3' ' C4 ' ' D' ' 50' ' ' ' G' . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.4 -32.55 68.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -67.11 -17.49 64.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.34 -21.01 29.1 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.319 0.509 . . . . 0.0 109.681 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.8 mt -80.16 -37.53 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.903 0.481 . . . . 0.0 109.785 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.05 1.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.677 0.391 . . . . 0.0 110.832 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.01 61.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.62 24.24 0.06 OUTLIER Glycine 0 C--N 1.34 0.783 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.754 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -159.18 32.08 0.2 Allowed 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 118.239 1.02 . . . . 0.0 113.654 -169.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -64.86 3.56 0.53 Allowed 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.721 -0.612 . . . . 0.0 112.162 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.11 73.61 44.53 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.877 1.271 . . . . 0.0 108.279 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.66 172.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 1 C-N-CA 125.354 4.036 . . . . 0.0 115.102 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.496 1.119 . . . . 0.0 113.297 -178.138 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 C4'-C3'-C2' 98.538 -4.162 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.306 -3.394 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.227 -2.182 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C4'-C3'-C2' 98.099 -4.601 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 C4'-C3'-C2' 98.59 -4.11 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 O4'-C1'-N19 111.722 3.522 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 110.899 2.699 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C5'-C4'-C3' 108.98 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.404 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C5'-C4'-C3' 109.936 -3.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 110.789 2.589 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.453 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.446 2.162 . 0.49 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.453 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O5'-C5'-C4' 114.698 3.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.43 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C5'-C4'-C3' 110.796 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.075 -3.625 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.012 -3.688 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.076 -3.624 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 98.882 -3.818 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.519 -3.181 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.325 -3.375 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.654 2.454 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.471 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.404 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.12 -32.78 70.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.39 -17.87 63.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.56 -21.87 30.29 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.926 0.785 . . . . 0.0 109.676 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.18 -40.65 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -82.41 2.27 33.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.471 0.308 . . . . 0.0 111.486 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.38 -17.4 62.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.14 31.17 0.08 OUTLIER Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.059 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.43 -41.22 0.12 Allowed 'General case' 0 N--CA 1.458 -0.058 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -171.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.27 27.69 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.849 1.26 . . . . 0.0 113.609 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.88 125.9 3.54 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -53.19 177.05 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.413 3.408 . . . . 0.0 114.261 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.708 179.203 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C4'-C3'-C2' 98.52 -4.18 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.323 -3.377 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.368 2.168 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 97.671 -5.029 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 111.796 3.596 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 N19-C1'-C2' 108.878 -2.826 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.466 3.266 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.176 2.974 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.505 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.742 -2.958 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.462 ' C4 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.619 2.589 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.51 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 103.718 2.464 . 0.479 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.51 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O5'-C5'-C4' 115.658 3.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.481 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 111.144 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.872 -3.828 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.054 -3.646 . 0.637 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.626 -3.074 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C4'-C3'-C2' 99.104 -3.596 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.541 -3.159 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.186 -3.514 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.034 2.834 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD11 " H5'" ' B' ' 52' ' ' ' A' . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -58.89 -32.94 69.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.22 -18.22 63.87 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.17 -22.19 31.05 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.641 0.655 . . . . 0.0 109.753 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.2 mt -80.21 -41.4 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.49 2.51 32.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -15.8 48.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.14 30.39 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.901 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 -40.36 0.13 Allowed 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 43.39 24.28 0.05 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.175 0.99 . . . . 0.0 113.17 -171.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.73 67.26 4.79 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 123.603 0.761 . . . . 0.0 109.946 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.36 -31.26 9.23 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.399 3.399 . . . . 0.0 114.358 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 122.528 0.331 . . . . 0.0 110.286 -174.555 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.758 -2.942 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 1 C4'-C3'-C2' 98.56 -4.14 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.103 -3.597 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-C3' 112.433 -2.045 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 C4'-C3'-C2' 98.006 -4.694 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.067 -3.633 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.53 -3.17 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.368 -3.332 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.466 " H4'" ' OP1' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-O3' 119.201 3.308 OUTLIER-EPSILON 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.466 ' OP1' " H4'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.818 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.492 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.852 2.614 . 0.509 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.492 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O5'-C5'-C4' 115.456 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.487 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 P-O3'-C3' 124.675 4.146 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 98.807 -3.893 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.123 -3.577 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.326 -3.374 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.611 -4.089 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.428 -3.272 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.17 -3.53 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.868 2.668 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.49 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.429 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.429 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.59 -31.45 66.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -72.46 -18.63 61.67 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -85.39 -21.34 28.87 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -79.01 -51.21 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -69.96 1.99 3.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -11.66 61.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.021 0.528 . . . . 0.0 112.323 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.57 16.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.359 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.48 -168.17 1.93 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.918 0.859 . . . . 0.0 111.03 -169.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m -141.44 -2.88 1.21 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.398 0.279 . . . . 0.0 111.454 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 114.2 2.57 Favored Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 121.604 -0.685 . . . . 0.0 110.79 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.49 178.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 124.32 3.347 . . . . 0.0 113.47 171.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.078 -179.533 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 1 C4'-C3'-C2' 98.44 -4.26 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.227 -3.473 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.322 2.122 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 2 C4'-C3'-C2' 98.256 -4.444 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.92 -3.78 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.566 -3.134 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.94 -2.76 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.417 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C5'-C4'-C3' 109.86 -3.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.429 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.771 2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.646 0 O4'-C1'-N19 110.779 2.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.488 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C3'-C2'-C1' 103.722 2.469 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.49 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O5'-C5'-C4' 115.418 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.488 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.003 -3.697 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.128 -3.572 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.421 -3.279 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.08 -3.62 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.406 -3.294 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.474 -3.226 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.191 -2.509 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' HA ' HG12 ' A' ' 51' ' ' ILE . 89.2 t80 -58.75 -29.68 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.95 -18.3 62.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 122.073 -0.392 . . . . 0.0 111.579 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -84.7 -20.45 31.18 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' A' ' 48' ' ' TYR . 10.5 mm -72.02 -61.69 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -66.56 1.4 1.74 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.778 0.831 . . . . 0.0 111.968 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -11.64 56.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.983 0.513 . . . . 0.0 111.7 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.01 15.69 0.04 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.918 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.7 178.9 6.94 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.533 1.167 . . . . 0.0 112.256 -169.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m -153.24 -20.89 0.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.353 0.661 . . . . 0.0 110.666 172.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.81 71.91 8.79 Favored Pre-proline 0 N--CA 1.454 -0.257 0 O-C-N 122.247 -0.283 . . . . 0.0 111.283 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.75 179.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.19 3.26 . . . . 0.0 113.328 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.059 179.746 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 100.101 -2.599 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.174 -4.526 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.117 -3.583 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 110.446 2.246 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 2 C4'-C3'-C2' 97.718 -4.982 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 98.838 -3.862 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.349 -3.351 . 0.54 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.674 3.474 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.371 3.19 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.407 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.902 -2.798 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.452 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.458 0 C3'-C2'-C1' 103.489 2.21 . 0.495 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.452 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O5'-C5'-C4' 115.036 3.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C5'-C4'-C3' 110.385 -3.41 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.033 -3.667 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.007 -3.693 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.27 -3.43 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.964 -3.736 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.412 -3.288 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.494 -3.206 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.981 -2.719 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.42 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.407 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.18 -32.16 69.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -69.45 -18.36 63.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.257 -0.401 . . . . 0.0 111.63 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.58 -21.57 28.44 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 118.981 0.81 . . . . 0.0 109.637 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.1 mt -78.85 -46.96 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -76.36 2.4 13.6 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.19 -12.3 49.77 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.76 20.26 0.06 OUTLIER Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.637 -0.535 . . . . 0.0 112.887 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.48 -166.76 1.58 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.886 0.843 . . . . 0.0 111.292 -168.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -144.4 5.73 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.155 0.582 . . . . 0.0 110.364 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.79 90.77 4.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.488 0.715 . . . . 0.0 109.674 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -44.02 142.0 4.14 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 124.18 3.253 . . . . 0.0 114.084 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 125.405 1.482 . . . . 0.0 114.226 176.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.523 -4.177 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.985 -3.715 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C5'-C4'-C3' 112.496 -2.003 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 2 O4'-C1'-N19 112.928 4.728 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 112.117 3.917 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.468 -3.232 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C4'-C3'-C2' 98.834 -3.866 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.18 2.98 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.487 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.652 -3.048 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.954 0 O4'-C1'-N19 111.466 3.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.569 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C4'-C3'-C2' 98.438 -4.262 . 0.341 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.569 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O5'-C5'-C4' 115.784 3.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.547 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.874 -3.826 . 0.246 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 98.907 -3.793 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.151 -3.549 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.155 -3.545 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.413 -3.287 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.317 -3.383 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.669 -3.031 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.69 -29.53 66.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -73.12 -18.26 61.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.082 -0.387 . . . . 0.0 111.726 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.48 -21.7 35.45 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.0 -51.8 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -71.9 2.03 6.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.469 0.308 . . . . 0.0 111.47 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.83 60.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.863 0.465 . . . . 0.0 111.971 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.62 18.54 0.04 OUTLIER Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.106 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -162.05 -170.37 2.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.143 0.972 . . . . 0.0 111.446 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 7.46 0.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.652 0.381 . . . . 0.0 110.95 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.66 81.79 5.8 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 123.014 0.525 . . . . 0.0 110.359 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.37 176.12 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.76 3.64 . . . . 0.0 114.486 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.332 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 C4'-C3'-C2' 98.627 -4.073 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.119 -3.581 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C5'-C4'-C3' 111.531 -2.646 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 2 O4'-C1'-N19 112.831 4.631 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C4'-C3'-C2' 98.601 -4.099 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.375 -3.325 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.398 -3.302 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.107 4.907 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.532 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C5'-C4'-C3' 111.099 -2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.459 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.394 0 C3'-C2'-C1' 103.772 2.524 . 0.427 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.483 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O5'-C5'-C4' 115.398 3.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.714 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 C4'-C3'-C2' 99.167 -3.533 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.132 -3.568 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 99.435 -3.265 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 98.77 -3.93 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.432 -3.268 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C4'-C3'-C2' 99.218 -3.482 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 110.793 2.593 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.485 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.13 -32.05 67.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.64 -18.19 64.87 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.32 -21.37 27.32 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.634 0.652 . . . . 0.0 110.04 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -80.59 -41.14 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -82.21 1.88 34.37 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.28 51.63 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.27 30.62 0.1 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.959 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -43.97 0.12 Allowed 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 43.52 20.46 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.856 1.262 . . . . 0.0 113.661 -172.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.36 72.54 3.4 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.094 0.558 . . . . 0.0 110.179 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.37 -170.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.922 3.748 . . . . 0.0 115.971 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-N 114.792 -1.094 . . . . 0.0 112.299 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.666 -3.034 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 98.725 -3.975 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.265 -3.435 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 110.375 2.175 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 C4'-C3'-C2' 97.442 -5.258 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.872 3.672 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.955 -2.745 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 110.837 2.637 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C5'-C4'-C3' 109.578 -3.948 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.467 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 110.928 -3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.451 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 112.241 -2.173 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.485 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O5'-C5'-C4' 115.712 3.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 98.936 -3.764 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.113 -3.587 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.478 -3.222 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.089 -3.611 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.325 -3.375 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.326 -3.374 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.987 -2.713 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.478 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.66 -31.75 66.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.4 -18.16 63.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.08 -21.85 27.46 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.937 0.79 . . . . 0.0 109.854 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.53 -40.94 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -82.29 2.08 33.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.489 0.316 . . . . 0.0 111.566 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.24 63.09 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.02 32.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.492 -0.616 . . . . 0.0 113.113 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.92 -37.44 0.1 Allowed 'General case' 0 C--N 1.338 0.108 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 40.85 28.05 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.606 1.162 . . . . 0.0 113.982 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.16 123.17 2.89 Favored Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.566 -0.709 . . . . 0.0 109.67 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -48.24 -42.25 33.72 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.838 3.025 . . . . 0.0 113.103 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 1 C4'-C3'-C2' 98.625 -4.075 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.159 -3.541 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.376 2.176 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 C4'-C3'-C2' 97.983 -4.717 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.869 3.669 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.415 3.215 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.909 2.709 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 C5'-C4'-C3' 108.979 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.592 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.427 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 C3'-C2'-C1' 103.673 2.415 . 0.493 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.478 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O5'-C5'-C4' 115.256 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C5'-C4'-C3' 110.39 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.034 -3.666 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C4'-C3'-C2' 98.674 -4.026 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.208 -3.492 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 98.801 -3.899 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.22 -3.48 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.28 -3.42 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.934 -2.766 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' D' ' 52' ' ' ' A' . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.5 -31.8 69.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.74 -18.01 62.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.18 -21.52 27.47 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-N 118.746 0.703 . . . . 0.0 109.905 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.98 -41.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.6 2.24 34.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.757 0.423 . . . . 0.0 111.757 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.99 -15.77 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.3 28.98 0.11 Allowed Glycine 0 CA--C 1.523 0.582 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.012 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.04 -41.75 0.13 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -171.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.37 28.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.185 0.994 . . . . 0.0 113.065 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.76 6.27 Favored Pre-proline 0 CA--C 1.53 0.186 0 C-N-CA 123.535 0.734 . . . . 0.0 110.388 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -44.66 146.99 1.93 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.441 3.428 . . . . 0.0 113.136 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.455 -0.18 0 C-N-CA 124.47 1.108 . . . . 0.0 112.633 179.268 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.927 -2.773 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 C4'-C3'-C2' 98.551 -4.149 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.959 -3.741 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 112.004 -2.331 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 2 C4'-C3'-C2' 97.796 -4.904 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 98.941 -3.759 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.061 -3.639 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.209 -3.491 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.465 " H4'" ' OP1' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-O3' 118.845 3.171 OUTLIER-EPSILON 0.764 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.465 ' OP1' " H4'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.838 1 P-O3'-C3' 126.215 5.429 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 0 C5'-C4'-C3' 110.776 -3.149 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.493 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C4'-C3'-C2' 100.465 -2.235 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.493 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.492 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C5'-C4'-C3' 110.622 -3.252 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 98.854 -3.846 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 C4'-C3'-C2' 98.612 -4.088 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.161 -3.539 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.124 -3.576 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.207 -3.493 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C4'-C3'-C2' 99.194 -3.506 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.819 -2.881 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HG12 ' A' ' 51' ' ' ILE . 85.9 t80 -58.92 -32.13 69.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -69.4 -18.17 63.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.132 -0.355 . . . . 0.0 111.93 -178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -86.84 -21.74 26.23 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.479 HG12 ' HA ' ' A' ' 48' ' ' TYR . 9.6 mm -69.71 -48.13 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -81.26 1.72 31.16 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.095 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.44 63.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.822 0.449 . . . . 0.0 111.616 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 27.54 0.11 Allowed Glycine 0 C--N 1.34 0.776 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.208 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.26 26.51 0.3 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -169.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -61.89 -8.78 5.48 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.985 0.811 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.71 78.07 12.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 124.959 1.304 . . . . 0.0 108.128 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.9 171.54 0.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 124.932 3.755 . . . . 0.0 114.59 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.496 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 C4'-C3'-C2' 98.356 -4.344 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.107 -3.593 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 112.154 -2.231 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 2 C4'-C3'-C2' 97.427 -5.273 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.231 -3.469 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 98.996 -3.704 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C4'-C3'-C2' 98.656 -4.044 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.847 2.647 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.437 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.639 0 C5'-C4'-C3' 110.421 -3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.529 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.38 2.088 . 0.466 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.488 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O5'-C5'-C4' 115.157 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.529 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C5'-C4'-C3' 110.363 -3.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.707 -3.993 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.985 -3.715 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.3 -3.4 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 98.989 -3.711 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C4'-C3'-C2' 99.252 -3.448 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.187 -3.513 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.616 -3.084 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.465 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.581 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.581 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.465 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.437 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.69 -32.33 67.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.03 -18.43 64.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.973 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.11 -21.36 26.05 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.692 0.678 . . . . 0.0 110.166 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.9 mt -79.84 -41.2 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -81.99 2.12 32.33 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.261 0.224 . . . . 0.0 111.512 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.36 58.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.74 30.13 0.11 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.633 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -41.13 0.13 Allowed 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.53 28.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.332 1.053 . . . . 0.0 113.116 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 124.85 3.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.139 0.576 . . . . 0.0 109.473 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.61 173.07 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.33 3.353 . . . . 0.0 114.617 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.061 0.944 . . . . 0.0 112.482 -179.343 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.465 -3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 C4'-C3'-C2' 98.401 -4.299 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.09 -3.61 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.788 2.588 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C4'-C3'-C2' 97.821 -4.879 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 C4'-C3'-C2' 98.517 -4.183 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.105 2.905 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 100.002 -2.698 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 C3'-C2'-C1' 105.389 4.321 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.5 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.598 0 O4'-C1'-N19 111.477 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.572 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C4'-C3'-C2' 98.051 -4.649 . 0.069 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.572 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O5'-C5'-C4' 116.471 4.48 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.452 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-C3' 110.838 -3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.099 -3.601 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.991 -3.709 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.045 -3.655 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.985 -3.715 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.133 -3.567 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.299 -3.401 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.888 -2.812 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 ' N7 ' ' B' ' 51' ' ' ' A' . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.517 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HA ' HG12 ' A' ' 51' ' ' ILE . 87.7 t80 -56.7 -32.22 65.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -70.87 -17.99 62.7 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.958 -0.463 . . . . 0.0 111.795 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -83.05 -21.84 33.67 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -73.85 -46.39 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -82.47 2.36 33.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.369 0.668 . . . . 0.0 111.674 -176.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.65 64.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.24 34.8 0.11 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-O 119.348 -0.695 . . . . 0.0 112.915 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.49 22.35 0.54 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 p -67.12 -4.85 11.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.115 0.87 . . . . 0.0 110.288 170.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.91 76.73 10.44 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 125.577 1.551 . . . . 0.0 107.657 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.78 171.99 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 1 C-N-CA 125.337 4.025 . . . . 0.0 114.691 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.717 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 98.786 -3.914 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 110.468 2.268 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 C4'-C3'-C2' 97.399 -5.301 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.154 -3.546 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.19 2.99 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 112.83 2.593 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 109.272 -4.152 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C4'-C3'-C2' 99.783 -2.917 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . 0.406 ' C4 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.618 2.477 0 C5'-C4'-C3' 111.127 -2.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.462 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 0 C3'-C2'-C1' 103.66 2.4 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.455 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O5'-C5'-C4' 114.673 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.462 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 98.919 -3.781 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 98.888 -3.812 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.135 -3.565 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 98.927 -3.773 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.545 -3.155 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.497 -3.203 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 110.895 2.695 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' C4 ' ' B' ' 50' ' ' ' G' . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.55 -32.12 71.19 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.84 -18.24 62.09 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.781 -0.575 . . . . 0.0 112.453 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -84.12 -21.4 31.43 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.549 0.613 . . . . 0.0 109.508 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -79.4 -41.25 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -82.46 2.07 34.52 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.407 0.283 . . . . 0.0 111.327 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -16.93 58.82 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.01 29.68 0.09 OUTLIER Glycine 0 C--N 1.34 0.784 0 CA-C-O 119.551 -0.583 . . . . 0.0 113.14 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.01 -41.22 0.13 Allowed 'General case' 0 C--N 1.337 0.063 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 40.73 27.31 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.575 1.15 . . . . 0.0 113.61 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 124.83 3.31 Favored Pre-proline 0 N--CA 1.452 -0.373 0 O-C-N 121.614 -0.679 . . . . 0.0 109.275 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.24 175.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.332 3.355 . . . . 0.0 114.275 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.723 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.896 -2.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C4'-C3'-C2' 98.638 -4.062 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.076 -3.624 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 110.348 2.148 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 2 C4'-C3'-C2' 97.757 -4.943 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 1 O4'-C1'-N19 112.226 4.026 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.571 -3.129 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.921 -2.779 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 C3'-C2'-C1' 105.256 4.173 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.517 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.776 2.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C5'-C4'-C3' 111.18 -2.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.547 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C3'-C2'-C1' 103.513 2.236 . 0.469 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.451 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O5'-C5'-C4' 114.839 3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.547 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.186 -3.514 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.936 -3.764 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.556 -3.144 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.077 -3.623 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 111.217 3.017 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.567 -3.133 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 111.209 3.009 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.418 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' HA ' HG12 ' A' ' 51' ' ' ILE . 87.1 t80 -57.95 -31.86 67.26 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.85 -17.44 63.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.08 -21.3 27.76 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 48' ' ' TYR . 13.2 mm -70.56 -55.1 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -71.82 2.29 5.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.347 0.659 . . . . 0.0 111.607 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.02 61.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.892 0.477 . . . . 0.0 112.194 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.47 20.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.359 -0.689 . . . . 0.0 113.633 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -163.2 -166.24 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.009 0.904 . . . . 0.0 111.486 -169.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -143.45 6.32 1.47 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.04 4.74 Favored Pre-proline 0 N--CA 1.452 -0.351 0 O-C-N 121.693 -0.629 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.0 -179.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 124.901 3.734 . . . . 0.0 112.859 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 123.469 0.707 . . . . 0.0 111.603 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.74 -3.96 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.066 -3.634 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.472 -2.019 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 C4'-C3'-C2' 97.963 -4.737 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C4'-C3'-C2' 98.61 -4.09 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.278 -3.422 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.403 -3.297 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.416 H5'' ' C8 ' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 3 C3'-C2'-C1' 105.26 4.178 OUTLIER-DELTA 0.091 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.558 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 110.734 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 111.081 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.552 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C3'-C2'-C1' 103.605 2.339 . 0.467 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.463 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.158 3.542 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.552 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-C3' 110.77 -3.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 98.843 -3.857 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.829 -3.871 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.186 -3.514 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.013 -3.687 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.424 -3.276 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.295 -3.405 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.009 2.809 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.511 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.511 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.558 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.75 -32.75 69.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -71.0 -18.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.015 -0.428 . . . . 0.0 111.996 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.57 -21.43 26.87 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.318 0.508 . . . . 0.0 109.635 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.3 -49.09 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.17 1.94 10.13 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.72 -14.33 62.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.38 24.55 0.03 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.065 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -167.3 -168.7 1.1 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.147 0.974 . . . . 0.0 111.601 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 4.4 m -142.26 -0.26 1.28 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.314 0.646 . . . . 0.0 110.086 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.01 89.56 4.28 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 123.999 0.92 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -43.97 133.56 8.32 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 124.271 3.314 . . . . 0.0 113.621 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 125.131 1.373 . . . . 0.0 114.085 177.566 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.94 -2.76 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C4'-C3'-C2' 98.461 -4.239 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.064 -3.636 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 110.179 1.979 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 2 C4'-C3'-C2' 97.833 -4.867 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.869 3.669 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 N19-C1'-C2' 108.567 -3.02 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.18 2.98 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.42 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 112.039 3.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.435 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.618 2.511 0 O4'-C1'-N19 110.77 2.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.553 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C4'-C3'-C2' 98.806 -3.894 . 0.334 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.526 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 O5'-C5'-C4' 116.017 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.553 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 110.686 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 C4'-C3'-C2' 98.972 -3.728 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.968 -3.732 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.519 -3.181 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 98.967 -3.733 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.123 -3.577 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.006 -3.694 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.049 2.849 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.2 t80 -58.06 -31.91 67.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.47 -17.93 64.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.661 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.05 -21.89 29.21 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.0 mm -73.08 -45.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -82.5 2.02 34.9 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.517 0.727 . . . . 0.0 111.335 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.23 -17.04 64.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.14 0.576 . . . . 0.0 112.08 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.68 34.81 0.14 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.079 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -152.7 22.61 0.6 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 p -67.84 -7.58 29.09 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.138 0.881 . . . . 0.0 109.866 170.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.59 75.74 8.46 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 125.571 1.548 . . . . 0.0 107.701 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.18 170.59 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 1 C-N-CA 125.319 4.013 . . . . 0.0 114.954 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 124.31 1.044 . . . . 0.0 112.464 -179.021 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 C4'-C3'-C2' 98.487 -4.213 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.049 -3.651 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 112.24 -2.173 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 2 C4'-C3'-C2' 98.065 -4.635 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 98.819 -3.881 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.826 -2.874 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.963 -2.737 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 109.659 -3.894 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.513 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.546 0 O4'-C1'-N19 111.025 2.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.434 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C3'-C2'-C1' 103.771 2.523 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.488 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 O5'-C5'-C4' 115.991 4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.434 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 98.892 -3.808 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.263 -3.437 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.31 -3.39 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.944 -3.756 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.428 -3.272 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.126 -3.574 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 110.731 2.531 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.445 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.513 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.24 -34.26 72.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.32 -18.11 65.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 -21.58 26.51 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.793 0.724 . . . . 0.0 109.891 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.438 ' HA ' HD11 ' C' ' 55' ' ' LEU . 59.6 mt -77.45 -40.38 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -82.17 1.46 36.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.658 0.383 . . . . 0.0 111.158 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.22 -16.98 64.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.785 0.434 . . . . 0.0 112.034 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.88 30.65 0.09 OUTLIER Glycine 0 C--N 1.339 0.747 0 CA-C-O 119.479 -0.623 . . . . 0.0 113.171 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' C' ' 51' ' ' ILE . 1.8 pp -154.43 30.82 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -169.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -66.66 -1.82 4.18 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.452 -0.78 . . . . 0.0 111.299 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.88 72.58 12.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.6 1.16 . . . . 0.0 108.852 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.48 173.89 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 1 C-N-CA 125.33 4.02 . . . . 0.0 114.826 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.27 1.028 . . . . 0.0 112.285 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 C4'-C3'-C2' 98.449 -4.251 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.269 -3.431 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 112.322 -2.118 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 2 C4'-C3'-C2' 97.781 -4.919 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.025 -3.675 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.357 -3.343 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.437 3.237 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.425 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.924 3.724 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.917 -2.783 . 0.028 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.157 -2.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.465 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.75 2.5 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.483 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O5'-C5'-C4' 115.435 3.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.533 -2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.018 -3.682 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.994 -3.706 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.422 -3.278 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.002 -3.698 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.478 -3.222 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.366 -3.334 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.748 -2.952 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.508 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.89 -32.33 69.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.68 -18.36 63.55 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.06 -21.15 27.86 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.363 0.529 . . . . 0.0 109.823 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.58 -41.58 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -82.2 2.1 33.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.586 0.354 . . . . 0.0 111.105 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.27 61.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.212 0.605 . . . . 0.0 112.426 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.17 30.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.318 -0.712 . . . . 0.0 113.118 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.09 -41.59 0.13 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.375 1.088 . . . . 0.0 113.768 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 37.92 36.89 0.11 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.547 1.139 . . . . 0.0 113.274 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 66.07 7.27 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 123.022 0.529 . . . . 0.0 110.853 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.55 149.83 12.8 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 124.141 3.227 . . . . 0.0 113.494 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 124.842 1.257 . . . . 0.0 112.732 176.868 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.187 -3.513 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.742 -3.958 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.408 -3.292 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.163 -2.224 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 2 C4'-C3'-C2' 97.743 -4.957 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.836 3.636 . 0.399 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.839 -2.861 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.529 3.329 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.463 " H4'" ' OP1' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 111.55 3.35 OUTLIER-EPSILON 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.463 ' OP1' " H4'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.861 1 P-O3'-C3' 126.128 5.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.483 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C3'-C2'-C1' 103.723 2.47 . 0.497 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.489 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 O5'-C5'-C4' 115.396 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.483 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 98.807 -3.893 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.2 -3.5 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.647 -3.053 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.891 -3.809 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.292 -3.408 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.504 -3.196 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.025 2.825 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.497 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.412 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.41 -32.76 70.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -69.46 -18.33 63.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.044 -177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.94 -22.06 29.36 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.998 0.817 . . . . 0.0 109.664 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.29 -40.8 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -82.16 2.24 32.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.587 0.355 . . . . 0.0 111.718 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.31 58.19 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.83 31.24 0.1 OUTLIER Glycine 0 C--N 1.339 0.739 0 CA-C-O 119.414 -0.659 . . . . 0.0 112.975 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -42.04 0.12 Allowed 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 40.46 27.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.472 1.109 . . . . 0.0 113.216 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.74 126.39 3.72 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.245 0.618 . . . . 0.0 109.402 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.18 173.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 124.589 3.526 . . . . 0.0 114.295 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.728 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.419 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.345 -4.355 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 98.954 -3.746 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 110.331 2.131 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 2 O4'-C1'-N19 113.262 5.062 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 C4'-C3'-C2' 98.666 -4.034 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.18 2.98 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.853 -2.847 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 C5'-C4'-C3' 108.966 -4.356 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.508 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.507 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.86 2.622 . 0.474 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.497 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.507 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.556 -3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.9 -3.8 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.193 -3.507 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.393 -3.307 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.017 -3.683 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.152 -3.548 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.403 -3.297 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 110.932 2.732 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' ILE . 80.4 t80 -57.77 -33.22 68.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -66.54 -16.89 64.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.634 0.374 . . . . 0.0 111.885 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.83 -30.6 21.37 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG12 ' HA ' ' A' ' 48' ' ' TYR . 12.2 mm -59.93 -44.97 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 C-N-CA 123.15 0.58 . . . . 0.0 109.586 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.402 HE22 HG21 ' A' ' 56' ' ' THR . 13.8 mm100 -83.26 1.98 38.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.231 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -13.31 57.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 122.294 -0.254 . . . . 0.0 110.936 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.89 36.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.988 -0.896 . . . . 0.0 113.39 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' ILE . 51.4 mt -120.62 -8.46 9.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.675 1.237 . . . . 0.0 113.323 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 HG21 HE22 ' A' ' 52' ' ' GLN . 46.1 p -74.51 0.13 15.75 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.192 0.451 . . . . 0.0 112.13 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.04 73.81 10.13 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 122.972 0.509 . . . . 0.0 110.363 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -52.77 176.23 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.733 3.622 . . . . 0.0 114.06 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 CA--C 1.53 0.178 0 C-N-CA 123.966 0.907 . . . . 0.0 112.39 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.846 -3.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 C4'-C3'-C2' 98.276 -4.424 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.182 -3.518 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 110.497 2.297 . 0.554 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.581 5.381 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.976 3.776 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.418 -3.282 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.867 3.667 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 111.202 3.002 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.401 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.059 2.859 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . 0.414 ' C4 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.215 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.481 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C3'-C2'-C1' 103.442 2.157 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.446 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O5'-C5'-C4' 114.787 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.481 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.845 -3.855 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 98.941 -3.759 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.41 -3.29 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.958 -3.742 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.03 -3.67 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.457 -3.243 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.079 2.879 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' C4 ' ' B' ' 50' ' ' ' G' . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.21 -29.49 67.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -75.01 -18.47 60.35 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -83.9 -21.48 31.9 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.47 -56.73 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -67.01 1.72 1.82 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -13.93 59.23 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.966 0.506 . . . . 0.0 111.556 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.19 16.28 0.05 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.826 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -163.22 178.58 8.09 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.659 1.23 . . . . 0.0 113.069 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -150.06 1.64 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.915 0.886 . . . . 0.0 110.947 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.97 82.8 4.4 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 122.966 0.507 . . . . 0.0 110.305 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.02 -169.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 125.201 3.934 . . . . 0.0 116.116 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.45 -0.436 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.522 -170.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.323 -3.377 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 C4'-C3'-C2' 98.41 -4.29 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.389 -3.311 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O4'-C1'-N19 110.094 1.894 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 2 O4'-C1'-N19 112.864 4.664 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.925 -3.775 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.934 -2.766 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 100.002 -2.698 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 1 C5'-C4'-C3' 108.554 -4.631 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.449 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.622 2.876 0 O4'-C1'-N19 111.818 3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.594 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C4'-C3'-C2' 98.377 -4.323 . 0.481 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.543 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.518 3.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.594 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.854 -3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 98.81 -3.89 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.005 -3.695 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.288 -3.412 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.887 -3.813 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.315 -3.385 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 99.139 -3.561 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.86 -2.84 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' A' ' 51' ' ' ILE . 90.4 t80 -57.64 -31.29 66.13 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.49 -17.25 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.308 -0.245 . . . . 0.0 111.341 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.25 -21.33 27.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -71.34 -53.36 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -74.11 2.03 9.82 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.361 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.65 63.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.984 0.514 . . . . 0.0 111.694 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 23.84 0.07 OUTLIER Glycine 0 CA--C 1.527 0.83 0 CA-C-O 119.528 -0.596 . . . . 0.0 113.238 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -161.81 -165.44 1.26 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.101 0.951 . . . . 0.0 112.268 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 m -137.73 -6.68 1.69 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.763 0.425 . . . . 0.0 111.278 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.32 116.92 4.05 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.17 168.11 0.13 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.631 3.554 . . . . 0.0 115.483 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.755 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.637 -4.063 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.539 -3.161 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 111.895 -2.404 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.488 ' P ' ' HA2' ' C' ' 27' ' ' GLY . . . . . . . . 0 O4'--C4' 1.417 -2.995 2 O4'-C1'-N19 112.43 4.23 . 0.634 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.184 -3.516 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.969 2.769 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.859 -2.841 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.4 ' C8 ' H5'' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C5'-C4'-C3' 109.053 -4.298 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.454 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 110.904 2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.369 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.558 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C3'-C2'-C1' 103.475 2.194 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.478 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 O5'-C5'-C4' 114.661 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.558 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 110.291 -3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 C4'-C3'-C2' 98.424 -4.276 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.895 -3.805 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.552 -3.148 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.907 -3.793 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.554 -3.146 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.109 -3.591 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 100.183 -2.517 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.438 ' HG2' HD11 ' C' ' 3' ' ' ILE . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . 0.488 ' HA2' ' P ' ' B' ' 44' ' ' ' U' . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.454 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -58.7 -32.05 68.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.15 -18.56 63.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -83.45 -21.25 32.96 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.664 0.666 . . . . 0.0 109.597 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.38 -53.04 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.43 2.1 2.57 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 122.225 -0.297 . . . . 0.0 111.619 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.14 -14.48 61.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.53 18.73 0.06 OUTLIER Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.927 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -162.74 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.239 1.02 . . . . 0.0 112.81 -168.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.9 p -144.99 9.27 1.28 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.495 1.118 . . . . 0.0 110.631 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.51 120.11 3.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.95 -38.39 31.16 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.985 3.123 . . . . 0.0 113.666 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.453 -0.302 0 O-C-N 123.143 0.277 . . . . 0.0 111.356 -175.729 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.787 -2.913 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C4'-C3'-C2' 98.476 -4.224 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.188 -3.512 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.416 2.216 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 97.567 -5.133 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.94 3.74 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.701 -2.999 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 110.779 2.579 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.457 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.8 2 O4'-C1'-N19 112.512 4.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.451 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.546 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 C4'-C3'-C2' 98.678 -4.022 . 0.513 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.546 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O5'-C5'-C4' 116.329 4.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.523 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 98.822 -3.878 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.031 -3.669 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.917 -2.783 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.082 -3.618 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.373 -3.327 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.179 -3.521 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 111.053 2.853 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.52 -32.44 67.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -70.54 -17.7 62.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -82.68 -21.69 34.82 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.7 -41.06 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -79.64 1.91 24.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.917 -0.49 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.6 59.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.055 0.542 . . . . 0.0 111.399 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.64 27.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.443 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -135.4 -166.83 1.91 Allowed 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.468 1.134 . . . . 0.0 110.985 -173.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 95.13 -7.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.694 2.398 . . . . 0.0 110.741 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.67 70.88 6.66 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.287 0.635 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.31 174.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.727 3.618 . . . . 0.0 114.788 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.89 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 98.314 -4.386 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.166 -3.534 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.515 -2.657 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 2 C4'-C3'-C2' 98.022 -4.678 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 98.736 -3.964 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.679 -3.021 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.675 -3.025 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 3 O4'-C1'-N19 112.854 4.654 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 110.975 2.775 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 O4'-C1'-N19 111.234 3.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.467 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C3'-C2'-C1' 103.581 2.312 . 0.491 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 O5'-C5'-C4' 115.549 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.493 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.132 -3.568 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.443 -3.257 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.308 -3.392 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 98.779 -3.921 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.442 -3.258 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.806 -2.894 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.4 -32.99 70.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.41 -18.32 63.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -85.45 -21.88 28.53 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.592 0.633 . . . . 0.0 109.629 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.3 mt -79.11 -48.27 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -73.99 2.05 9.54 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -12.2 53.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.01 0.524 . . . . 0.0 112.275 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.92 19.49 0.05 OUTLIER Glycine 0 CA--C 1.528 0.871 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.982 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.21 -168.04 1.94 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.791 0.795 . . . . 0.0 111.378 -169.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -143.83 2.77 1.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 110.671 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 120.03 3.76 Favored Pre-proline 0 N--CA 1.454 -0.262 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -45.69 -34.54 11.74 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.561 3.507 . . . . 0.0 114.256 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.449 -0.492 0 C-N-CA 122.571 0.349 . . . . 0.0 110.061 -174.245 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.137 -3.563 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.456 -4.244 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.338 -3.362 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C5'-C4'-C3' 112.044 -2.304 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 2 C4'-C3'-C2' 97.775 -4.925 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.337 -3.363 . 0.422 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.241 3.041 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 2 C3'-C2'-C1' 105.301 4.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.465 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.618 2.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.424 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.623 2.965 0 C5'-C4'-C3' 110.82 -3.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.426 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 103.714 2.461 . 0.454 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.488 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.651 3.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.426 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 98.954 -3.746 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.108 -3.592 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.82 -2.88 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.93 -3.77 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.492 -3.208 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.031 -3.669 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.809 2.609 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' C' ' 12' ' ' ILE . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.5 t80 -58.21 -30.72 66.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.52 -17.81 63.62 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.13 -21.64 27.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG12 ' HA ' ' A' ' 48' ' ' TYR . 10.6 mm -71.64 -46.72 61.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -82.16 2.14 32.97 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.536 0.734 . . . . 0.0 111.315 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.6 64.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.17 35.72 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.073 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.76 26.14 0.44 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -169.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 p -67.16 -4.42 10.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.207 0.912 . . . . 0.0 110.83 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.38 72.5 8.35 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.129 1.372 . . . . 0.0 108.48 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.72 -40.24 31.13 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 124.386 3.391 . . . . 0.0 113.597 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 122.904 0.482 . . . . 0.0 110.633 -177.103 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 99.464 -3.236 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.769 -3.931 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.922 -3.778 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 110.281 2.081 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 2 C4'-C3'-C2' 98.274 -4.426 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.965 3.765 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.525 -3.175 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 98.994 -3.706 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.327 3.127 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.456 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.833 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.446 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C4'-C3'-C2' 100.297 -2.403 . 0.473 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.469 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O5'-C5'-C4' 115.482 3.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.423 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C5'-C4'-C3' 110.978 -3.015 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.009 -3.691 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.048 -3.652 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.445 -3.255 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.968 -3.732 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C4'-C3'-C2' 99.262 -3.438 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.295 -3.405 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C4'-C3'-C2' 100.013 -2.687 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 2' ' ' LEU . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.507 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.549 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.549 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.415 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.456 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.04 -30.11 67.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.42 -17.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -85.31 -21.44 28.96 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 118.721 0.692 . . . . 0.0 109.354 175.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.15 -57.04 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.54 0.69 2.86 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -10.89 54.91 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.94 0.496 . . . . 0.0 111.915 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.56 13.54 0.03 OUTLIER Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.082 -0.843 . . . . 0.0 113.518 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.15 -176.2 5.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.373 1.087 . . . . 0.0 111.214 -169.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -147.98 5.85 0.77 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.174 -0.329 . . . . 0.0 111.163 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 123.61 4.63 Favored Pre-proline 0 C--O 1.232 0.174 0 O-C-N 122.028 -0.42 . . . . 0.0 110.104 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.14 176.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.686 3.591 . . . . 0.0 113.823 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 124.033 0.933 . . . . 0.0 112.429 -178.411 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 C4'-C3'-C2' 98.331 -4.369 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.053 -3.647 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 110.692 2.492 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 2 C4'-C3'-C2' 98.319 -4.381 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 98.884 -3.816 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.343 -3.357 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.685 -3.015 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 110.616 -3.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.493 ' C4 ' H5'' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.419 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.456 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C3'-C2'-C1' 103.725 2.473 . 0.496 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.507 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O5'-C5'-C4' 115.392 3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.045 -3.655 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C4'-C3'-C2' 99.07 -3.63 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.262 -3.438 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 98.989 -3.711 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.234 -3.466 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.263 -3.437 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 100.059 -2.641 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HA ' HG12 ' A' ' 51' ' ' ILE . 86.8 t80 -58.55 -31.58 68.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.72 -16.71 63.38 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 122.113 -0.367 . . . . 0.0 111.669 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.37 -22.01 28.61 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.0 mm -72.45 -46.27 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.4 2.03 34.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.561 0.744 . . . . 0.0 111.295 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -16.56 64.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.2 34.96 0.15 Allowed Glycine 0 C--N 1.339 0.746 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.998 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.78 22.84 0.59 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -67.64 -8.06 31.65 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.899 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.84 75.91 9.84 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.527 1.531 . . . . 0.0 107.517 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.28 171.86 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 125.13 3.886 . . . . 0.0 114.799 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 112.95 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 C4'-C3'-C2' 98.538 -4.162 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.101 -3.599 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C5'-C4'-C3' 112.378 -2.081 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 2 C4'-C3'-C2' 98.167 -4.533 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.307 -4.393 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.342 -3.358 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.925 -2.775 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 1 C3'-C2'-C1' 105.749 4.721 OUTLIER-DELTA 0.39 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.23 -2.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . 0.444 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.727 0 O4'-C1'-N19 111.493 3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.585 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.515 1 C4'-C3'-C2' 98.224 -4.476 . 0.509 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.553 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O5'-C5'-C4' 115.604 3.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.585 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C5'-C4'-C3' 110.88 -3.08 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.818 -3.882 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.137 -3.563 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.466 -3.234 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 98.924 -3.776 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.459 -3.241 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.232 -3.468 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.495 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.444 ' HE3' " O2'" ' B' ' 50' ' ' ' G' . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -60.3 -28.65 68.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -15.87 61.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.634 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -85.16 -21.45 29.2 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.223 0.465 . . . . 0.0 109.837 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.82 -40.43 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 122.88 0.472 . . . . 0.0 109.842 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -81.94 2.38 30.95 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.496 0.318 . . . . 0.0 111.793 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -16.13 51.41 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.55 30.52 0.12 Allowed Glycine 0 C--N 1.339 0.745 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.165 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.76 -40.61 0.14 Allowed 'General case' 0 C--N 1.338 0.073 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -171.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 36.81 38.22 0.08 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.625 1.17 . . . . 0.0 112.818 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.79 75.12 6.97 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 122.896 0.478 . . . . 0.0 109.887 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.04 169.25 0.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.392 3.395 . . . . 0.0 115.004 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.53 -1.214 . . . . 0.0 113.217 -176.719 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.677 -3.023 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 C4'-C3'-C2' 98.185 -4.515 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.986 -3.714 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.153 1.953 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 2 O4'-C1'-N19 113.267 5.067 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 C4'-C3'-C2' 98.601 -4.099 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.586 -3.114 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.026 2.826 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 109.771 -3.82 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.47 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C3'-C2'-C1' 103.634 2.371 . 0.485 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.439 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 114.628 3.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.47 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-C3' 110.528 -3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C4'-C3'-C2' 98.935 -3.765 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 98.966 -3.734 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.302 -3.398 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.038 -3.662 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 99.174 -3.526 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.659 -3.041 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 100.08 -2.62 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 2' ' ' LEU . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.9 t80 -57.08 -31.91 65.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -70.3 -18.28 63.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.759 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -84.26 -21.17 31.21 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 48' ' ' TYR . 9.9 mm -72.0 -55.75 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.77 2.21 8.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.064 0.546 . . . . 0.0 112.182 -175.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.07 51.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.25 21.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.274 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -164.69 -167.01 1.15 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.17 0.985 . . . . 0.0 112.055 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m -144.0 1.86 1.14 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.02 0.528 . . . . 0.0 110.287 172.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.56 88.53 4.61 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 123.713 0.805 . . . . 0.0 109.248 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.52 170.71 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.713 3.609 . . . . 0.0 114.567 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 CA--C 1.53 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 112.244 -179.245 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C4'-C3'-C2' 98.474 -4.226 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.135 -3.565 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.268 -2.154 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 2 C4'-C3'-C2' 98.275 -4.425 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.654 -4.046 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.648 3.448 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.77 -2.93 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 2 O4'-C1'-N19 112.679 4.479 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 125.511 4.843 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O4'-C1'-N19 111.282 3.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.5 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 0 C3'-C2'-C1' 103.836 2.596 . 0.464 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.506 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O5'-C5'-C4' 115.86 4.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.5 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 98.911 -3.789 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.973 -3.727 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.106 -3.594 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 98.88 -3.82 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.222 -3.478 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.347 -3.353 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 100.054 -2.646 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.491 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.405 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.62 -30.83 61.61 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.8 -8.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.012 -0.518 . . . . 0.0 112.396 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -87.67 -38.59 15.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.019 0.827 . . . . 0.0 110.944 172.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.11 -26.66 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 126.359 1.863 . . . . 0.0 114.904 -169.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 2.33 4.77 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -11.19 60.72 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.953 -0.467 . . . . 0.0 112.087 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.18 11.34 1.05 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -161.62 174.52 13.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.02 0.528 . . . . 0.0 110.884 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -140.6 11.08 2.28 Favored 'General case' 0 N--CA 1.461 0.084 0 C-N-CA 123.457 0.703 . . . . 0.0 110.75 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.76 126.11 6.06 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.87 173.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 125.091 3.861 . . . . 0.0 114.418 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.267 1.027 . . . . 0.0 112.897 -177.364 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 111.432 -2.712 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.762 -3.938 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.195 -3.505 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.346 2.146 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 2 C4'-C3'-C2' 97.83 -4.87 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.711 -3.989 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.354 -3.346 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.718 2.518 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 105.05 3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.412 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 110.827 2.627 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.512 -2.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.515 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 103.844 2.604 . 0.471 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.463 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O5'-C5'-C4' 115.143 3.531 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.515 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.053 -3.647 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.021 -3.679 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.525 -3.175 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.739 -3.961 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C4'-C3'-C2' 99.1 -3.6 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.157 -3.543 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.777 -2.923 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.617 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.617 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -58.83 -31.19 68.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.25 -18.26 63.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.34 -21.54 30.89 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.865 0.757 . . . . 0.0 109.51 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -79.28 -47.38 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.95 2.35 12.83 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 122.208 -0.307 . . . . 0.0 111.717 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.05 42.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 19.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.6 -0.556 . . . . 0.0 112.432 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.08 -166.7 1.63 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.823 0.811 . . . . 0.0 111.427 -169.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -144.13 3.51 1.21 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.822 0.449 . . . . 0.0 110.559 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.13 106.11 2.99 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.607 0.763 . . . . 0.0 108.971 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -50.99 173.3 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.425 3.417 . . . . 0.0 114.916 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.431 1.092 . . . . 0.0 112.335 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 1 C4'-C3'-C2' 98.599 -4.101 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.277 -3.423 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.163 1.963 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 C4'-C3'-C2' 97.917 -4.783 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 112.093 3.893 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.498 3.298 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.008 2.808 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C5'-C4'-C3' 109.658 -3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.443 ' N3 ' " H2'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 109.834 -3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.565 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.836 1 C4'-C3'-C2' 98.141 -4.559 . 0.101 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.565 H5'' " C2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O5'-C5'-C4' 116.438 4.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.911 -3.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.85 -3.85 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.282 -3.418 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.456 -3.244 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 98.831 -3.869 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.127 -3.573 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.438 -3.262 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.412 HD11 " H5'" ' D' ' 52' ' ' ' A' . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.73 -27.47 63.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.34 -11.2 60.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.123 -0.361 . . . . 0.0 111.291 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -87.26 -37.87 16.82 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.302 0.501 . . . . 0.0 110.499 170.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 124.689 1.196 . . . . 0.0 112.311 -172.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.61 1.88 24.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.4 -13.64 60.41 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.283 -0.261 . . . . 0.0 110.632 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.99 24.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.071 -0.85 . . . . 0.0 113.157 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -126.33 -4.33 6.72 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.553 1.177 . . . . 0.0 112.675 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.5 p -71.96 -1.03 13.01 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.074 0.397 . . . . 0.0 111.863 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.72 69.76 10.24 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.192 0.597 . . . . 0.0 110.187 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -46.16 -37.55 18.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 124.466 3.444 . . . . 0.0 114.207 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.143 -174.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 1 C4'-C3'-C2' 98.286 -4.414 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.05 -3.65 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.42 2.22 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 O4'-C1'-N19 113.094 4.894 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.781 -3.919 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.248 -3.452 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C4'-C3'-C2' 99.033 -3.667 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C5'-C4'-C3' 109.012 -4.326 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.512 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.917 2.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C5'-C4'-C3' 111.484 -2.677 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.561 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 103.752 2.502 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.459 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O5'-C5'-C4' 115.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.561 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.061 -3.639 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C4'-C3'-C2' 98.845 -3.855 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.164 -3.536 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C4'-C3'-C2' 99.119 -3.581 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.333 -3.367 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.12 -3.58 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.833 -2.867 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' A' ' 51' ' ' ILE . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.11 -28.22 64.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.36 -17.05 61.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.832 -0.542 . . . . 0.0 112.018 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.16 -20.95 36.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 43' ' ' HIS . 57.1 mt -77.43 -55.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.61 0.48 3.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.14 -11.68 59.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.136 0.575 . . . . 0.0 112.025 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.68 13.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.414 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.28 -174.76 4.47 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.205 1.003 . . . . 0.0 111.141 -170.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -149.87 12.39 0.77 Allowed 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.151 -0.343 . . . . 0.0 111.354 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.49 123.12 5.77 Favored Pre-proline 0 N--CA 1.451 -0.4 0 O-C-N 121.938 -0.476 . . . . 0.0 110.786 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.48 -27.31 18.49 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.533 3.489 . . . . 0.0 114.356 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -170.91 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.739 -2.961 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.963 -3.737 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 112.067 -2.289 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 98.071 -4.629 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.148 -3.552 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.569 -3.131 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.775 3.575 . 0.598 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.483 H5'' ' C4 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.431 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.784 -3.144 . 0.481 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.431 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O5'-C5'-C4' 114.687 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.404 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 110.33 -3.446 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.271 -3.429 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.098 -3.602 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.236 -3.464 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.691 -4.009 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.395 -3.305 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.395 -3.305 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.109 2.909 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.573 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.573 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.479 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 91.2 t80 -62.05 -31.51 71.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.22 -18.06 64.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.158 -0.339 . . . . 0.0 111.512 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -84.49 -21.4 30.61 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 12.9 mm -74.06 -47.47 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.371 0.668 . . . . 0.0 109.72 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -82.23 2.27 32.62 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.712 0.805 . . . . 0.0 111.637 -176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.41 57.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.77 30.88 0.14 Allowed Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.519 -0.6 . . . . 0.0 113.129 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.94 -40.99 0.12 Allowed 'General case' 0 C--N 1.339 0.137 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -171.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.426 ' HA ' HG22 ' C' ' 51' ' ' ILE . 3.7 m 39.82 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.458 1.103 . . . . 0.0 113.63 -171.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.48 119.21 2.25 Favored Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 121.617 -0.677 . . . . 0.0 110.095 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.96 -178.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.272 3.314 . . . . 0.0 113.123 171.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 123.137 0.575 . . . . 0.0 111.645 177.738 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 C4'-C3'-C2' 98.44 -4.26 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.991 -3.709 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 110.5 2.3 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 2 O4'-C1'-N19 112.739 4.539 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C4'-C3'-C2' 98.592 -4.108 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.337 3.137 . 0.396 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.415 3.215 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . 0.459 " H4'" ' OP1' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.64 3.44 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . 0.459 ' OP1' " H4'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.468 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C3'-C2'-C1' 103.538 2.264 . 0.507 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.468 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O5'-C5'-C4' 114.968 3.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.642 -3.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 98.919 -3.781 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.025 -3.675 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.283 -3.417 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.356 -3.344 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.301 -3.399 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.245 -3.455 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 100.135 -2.565 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 2' ' ' LEU . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 HD11 " H4'" ' B' ' 52' ' ' ' A' . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.6 -32.4 70.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.79 -18.34 63.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -87.16 -21.73 25.75 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.766 0.712 . . . . 0.0 109.807 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -76.93 -41.45 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -82.09 1.97 33.46 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.249 0.22 . . . . 0.0 111.56 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -16.64 61.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.25 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.259 -0.745 . . . . 0.0 112.925 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.56 -40.76 0.12 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 118.481 1.14 . . . . 0.0 113.984 -171.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m 41.33 28.29 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.488 1.115 . . . . 0.0 113.474 -172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 123.05 3.1 Favored Pre-proline 0 N--CA 1.454 -0.237 0 O-C-N 121.758 -0.589 . . . . 0.0 109.776 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.3 170.24 0.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.961 3.107 . . . . 0.0 114.402 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.316 1.046 . . . . 0.0 112.854 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.812 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 1 C4'-C3'-C2' 98.551 -4.149 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.141 -3.559 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 112.452 -2.032 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 2 C4'-C3'-C2' 97.884 -4.816 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.954 -3.746 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.755 -2.945 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.756 -2.944 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 2 C3'-C2'-C1' 105.391 4.324 . 0.699 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 103.766 2.518 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 112.054 3.854 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.553 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 C4'-C3'-C2' 98.345 -4.355 . 0.284 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.553 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 O5'-C5'-C4' 116.433 4.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . 0.529 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.874 0 C4'-C3'-C2' 99.596 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.734 -3.966 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.193 -3.507 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.48 -3.22 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.088 -3.612 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.206 -3.494 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.275 -3.425 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 100.139 -2.561 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.408 HD11 " C4'" ' D' ' 52' ' ' ' A' . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.24 -32.2 69.76 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.83 -18.46 63.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -85.53 -21.24 28.68 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 53.2 mt -81.29 -50.95 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -69.6 1.78 3.81 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -13.34 61.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.905 0.482 . . . . 0.0 111.832 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.2 19.29 0.06 OUTLIER Glycine 0 C--N 1.341 0.83 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.748 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -163.56 -172.5 2.93 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.489 1.145 . . . . 0.0 112.822 -168.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -142.8 9.83 1.77 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.754 0.822 . . . . 0.0 111.102 173.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.67 120.4 4.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.84 176.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.525 3.483 . . . . 0.0 114.733 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.736 177.909 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 100.065 -2.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.49 -4.21 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.377 -3.323 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 110.596 2.396 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 2 O4'-C1'-N19 113.3 5.1 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.863 3.663 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.749 -2.951 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.427 3.227 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 O4'-C1'-N19 111.947 3.747 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.342 3.142 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.454 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.381 2.09 . 0.487 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.454 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C3'-C2'-C1' 104.936 3.818 OUTLIER-EPSILON 0.01 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . 0.429 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 P-O3'-C3' 124.59 4.075 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.841 -3.859 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.506 -3.194 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.401 -3.299 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 98.724 -3.976 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.458 -3.242 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.216 -3.484 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.016 -2.684 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' H41' ' D' ' 45' ' ' ' C' . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -59.55 -31.55 69.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -69.87 -18.26 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -84.01 -21.04 31.8 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.621 0.646 . . . . 0.0 109.383 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -80.05 -51.09 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.43 2.06 5.48 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.58 -11.45 58.13 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.123 0.569 . . . . 0.0 112.469 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.04 15.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.633 -0.537 . . . . 0.0 113.144 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -161.42 -167.9 1.87 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.667 0.734 . . . . 0.0 110.885 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -143.77 6.49 1.41 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.255 -0.278 . . . . 0.0 111.585 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 123.63 4.18 Favored Pre-proline 0 CA--C 1.53 0.176 0 O-C-N 121.992 -0.442 . . . . 0.0 110.735 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.49 176.71 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 125.004 3.803 . . . . 0.0 113.445 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.561 -177.459 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 C4'-C3'-C2' 98.396 -4.304 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 98.826 -3.874 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 110.321 2.121 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 O4'-C1'-N19 113.151 4.951 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C4'-C3'-C2' 98.375 -4.325 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.034 -2.666 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 110.885 2.685 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 2 O4'-C1'-N19 112.266 4.066 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . 0.541 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 110.85 2.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C5'-C4'-C3' 111.121 -2.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ' A' . . . . . 0.479 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C3'-C2'-C1' 104.021 2.801 . 0.463 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ' A' . . . . . 0.479 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 115.224 3.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.71 -3.99 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 98.707 -3.993 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.01 -3.69 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.039 -3.661 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.498 -3.202 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.502 -3.198 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.888 -2.812 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.415 HD11 " C4'" ' D' ' 52' ' ' ' A' . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . 0.541 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.03 -32.28 67.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -18.44 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.69 -21.75 30.04 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 118.568 0.622 . . . . 0.0 109.557 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -79.46 -49.92 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -72.27 2.1 6.6 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -12.41 56.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.812 0.445 . . . . 0.0 112.14 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.16 20.03 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.624 -0.542 . . . . 0.0 113.386 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.62 -171.16 2.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.892 0.846 . . . . 0.0 111.811 -169.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m -146.03 22.71 1.38 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.356 0.663 . . . . 0.0 109.809 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.24 99.11 5.98 Favored Pre-proline 0 CA--C 1.531 0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.268 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.81 -40.19 24.65 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.652 3.568 . . . . 0.0 114.34 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -175.281 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.898 -2.802 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 1 C4'-C3'-C2' 98.473 -4.227 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 98.846 -3.854 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.941 -2.373 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 97.867 -4.833 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ' C' . . . . . 0.405 ' H41' ' HB3' ' A' ' 26' ' ' SER . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.227 -3.473 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 99.45 -3.25 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.985 -2.715 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 2 C5'-C4'-C3' 109.176 -4.216 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 109.152 -4.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 50' ' ' ' G' . . . . . 0.452 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.083 2.883 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 51' ' ' ' A' . . . . . 0.557 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.405 -3.981 1 C4'-C3'-C2' 98.222 -4.478 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 52' ' ' ' A' . . . . . 0.557 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O5'-C5'-C4' 115.863 4.045 OUTLIER-EPSILON 0.011 7d . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 P-O3'-C3' 124.62 4.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 98.762 -3.938 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.292 -3.408 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.299 -3.401 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 98.999 -3.701 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.607 -3.093 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C4'-C3'-C2' 99.451 -3.249 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.817 -2.883 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.502 HG22 HE22 ' C' ' 28' ' ' GLN . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.502 HE22 HG22 ' A' ' 25' ' ' VAL . 11.2 tp60 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.429 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.429 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.524 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.431 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.581 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.581 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.465 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.474 HE22 ' CG2' ' C' ' 25' ' ' VAL . 13.4 tp60 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.474 ' CG2' HE22 ' A' ' 28' ' ' GLN . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.511 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.511 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.445 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' C' ' 28' ' ' GLN . 13.2 tp60 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.468 HE22 ' CG2' ' C' ' 25' ' ' VAL . 14.7 tp60 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.468 ' CG2' HE22 ' A' ' 28' ' ' GLN . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.438 ' HG2' HD11 ' C' ' 3' ' ' ILE . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 . . . . . 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' C' ' 12' ' ' ILE . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 2' ' ' LEU . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.549 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.549 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.415 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 t80 . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.495 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 2' ' ' LEU . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.491 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.617 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.617 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.573 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.573 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 2' ' ' LEU . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG22 HE22 ' C' ' 28' ' ' GLN . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.511 HE22 HG22 ' A' ' 25' ' ' VAL . 10.7 tp60 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.71 124.38 31.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.14 148.87 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 122.793 0.437 . . . . 0.0 111.093 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.36 156.63 44.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.789 1.236 . . . . 0.0 108.263 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -133.59 129.18 36.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -142.32 -175.35 4.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.525 0.73 . . . . 0.0 110.5 -175.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 11.8 mmmt -122.96 154.44 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.349 1.059 . . . . 0.0 108.835 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.98 132.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 118.941 -1.103 . . . . 0.0 110.447 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.82 5.54 55.07 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.463 -0.632 . . . . 0.0 112.893 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -112.28 176.87 4.84 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.608 1.204 . . . . 0.0 111.59 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -137.42 168.17 20.17 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.68 164.22 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.192 1.797 . . . . 0.0 107.438 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -132.64 153.12 51.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.654 0.661 . . . . 0.0 112.608 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.4 mt -143.4 136.16 24.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 C-N-CA 124.287 1.035 . . . . 0.0 108.674 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.44 -143.89 30.34 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -124.84 15.23 8.63 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.854 0.862 . . . . 0.0 110.158 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.96 1.26 2.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.329 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.84 148.01 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 119.291 0.951 . . . . 0.0 111.377 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -140.58 154.91 46.67 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.0 mm -131.24 150.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -142.92 147.99 36.19 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.854 0.359 . . . . 0.0 110.203 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -107.2 88.41 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 mt -64.93 -26.01 68.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.152 -0.342 . . . . 0.0 110.601 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.35 -167.24 35.55 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 121.604 -0.331 . . . . 0.0 112.846 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.502 HG22 HE22 ' C' ' 28' ' ' GLN . 2.8 m -127.3 169.92 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 t -144.77 49.97 1.28 Allowed 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.85 -102.54 1.98 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 107.524 -2.23 . . . . 0.0 107.524 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -115.13 1.37 13.86 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 117.014 0.407 . . . . 0.0 109.956 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -79.76 162.55 25.07 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -141.09 128.55 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -93.15 116.49 29.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.501 1.121 . . . . 0.0 108.234 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -126.21 141.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.54 159.96 17.08 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.4 mt -136.57 147.52 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -138.66 92.4 2.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.1 156.79 67.95 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.226 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' ASP . 34.1 Cg_endo -64.91 157.7 55.31 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.153 2.569 . . . . 0.0 110.025 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HE3' ' C4 ' ' D' ' 50' ' ' ' G' . 14.3 mmmm -65.88 -0.58 2.34 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 121.42 0.629 . . . . 0.0 109.982 174.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 37' ' ' PRO . 14.3 t70 -67.71 -11.17 57.74 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.343 1.457 . . . . 0.0 111.808 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.24 160.08 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 C-N-CA 122.969 0.508 . . . . 0.0 110.133 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.91 138.07 38.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.753 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.97 120.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.505 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 4.5 m-70 -155.37 164.32 38.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.678 0.275 . . . . 0.0 111.012 -176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -75.84 160.52 29.87 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -49.47 -35.93 21.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.96 -31.23 72.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.46 -33.04 5.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.4 -32.55 68.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.706 0.402 . . . . 0.0 111.963 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -67.11 -17.49 64.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.34 -21.01 29.1 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.319 0.509 . . . . 0.0 109.681 177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.8 mt -80.16 -37.53 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.903 0.481 . . . . 0.0 109.785 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.492 HE22 HG23 ' A' ' 56' ' ' THR . 84.4 mm-40 -82.05 1.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.677 0.391 . . . . 0.0 110.832 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.01 61.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.62 24.24 0.06 OUTLIER Glycine 0 C--N 1.34 0.783 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.754 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -159.18 32.08 0.2 Allowed 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 118.239 1.02 . . . . 0.0 113.654 -169.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.492 HG23 HE22 ' A' ' 52' ' ' GLN . 3.6 m -64.86 3.56 0.53 Allowed 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.721 -0.612 . . . . 0.0 112.162 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.11 73.61 44.53 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.877 1.271 . . . . 0.0 108.279 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.66 172.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 1 C-N-CA 125.354 4.036 . . . . 0.0 115.102 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.496 1.119 . . . . 0.0 113.297 -178.138 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.391 -3.309 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 C4'-C3'-C2' 98.538 -4.162 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.306 -3.394 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.227 -2.182 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C4'-C3'-C2' 98.099 -4.601 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 C4'-C3'-C2' 98.59 -4.11 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 O4'-C1'-N19 111.722 3.522 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 110.899 2.699 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C5'-C4'-C3' 108.98 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.404 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C5'-C4'-C3' 109.936 -3.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 O4'-C1'-N19 110.789 2.589 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.453 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.446 2.162 . 0.49 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.453 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O5'-C5'-C4' 114.698 3.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.43 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C5'-C4'-C3' 110.796 -3.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.075 -3.625 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.012 -3.688 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.076 -3.624 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 98.882 -3.818 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C4'-C3'-C2' 99.519 -3.181 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.325 -3.375 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.654 2.454 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.37 128.39 52.19 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.471 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 72.8 mt -124.07 146.13 30.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 111.417 -167.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.5 156.69 44.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.945 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m -127.6 143.54 51.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.6 mmp_? -144.9 -177.9 5.76 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.809 1.244 . . . . 0.0 108.703 -171.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -135.69 164.4 27.96 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.11 118.91 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.517 0.675 . . . . 0.0 111.45 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.05 -17.01 27.4 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.743 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.33 176.58 9.33 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.334 1.067 . . . . 0.0 111.023 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -141.0 170.99 14.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mm -143.37 160.84 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.196 1.798 . . . . 0.0 107.452 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -130.63 151.53 50.99 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 118.462 0.574 . . . . 0.0 111.797 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -143.23 132.46 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.208 1.003 . . . . 0.0 109.056 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.3 -144.21 25.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.49 8.74 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 0.0 110.592 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -135.66 0.25 2.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.266 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 147.6 29.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 119.598 1.09 . . . . 0.0 112.018 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -141.52 154.32 45.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.5 mm -132.79 149.18 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m -145.3 131.68 19.65 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-O 120.704 0.288 . . . . 0.0 110.453 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -85.8 96.02 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 4.0 mt -66.87 -29.25 69.11 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -173.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.0 -170.62 34.33 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.65 170.3 13.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.869 0.334 . . . . 0.0 110.14 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -145.11 48.19 1.3 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.984 0.914 . . . . 0.0 109.283 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.46 -143.47 15.68 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 107.126 -2.389 . . . . 0.0 107.126 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.502 HE22 HG22 ' A' ' 25' ' ' VAL . 11.2 tp60 -82.23 0.82 39.5 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.257 1.028 . . . . 0.0 110.426 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 4.0 pt20 -89.1 160.82 16.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -137.43 149.52 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -127.35 124.79 39.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.04 145.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.909 -168.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.62 158.43 14.47 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.26 147.48 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -138.37 91.74 2.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.82 157.19 68.14 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.413 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -67.54 158.43 57.15 Favored 'Trans proline' 0 N--CA 1.449 -1.128 0 C-N-CA 123.52 2.813 . . . . 0.0 111.158 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.02 -2.55 13.03 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.923 0.392 . . . . 0.0 110.044 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.22 -8.56 46.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.379 1.071 . . . . 0.0 110.966 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.22 160.94 28.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 123.816 0.847 . . . . 0.0 109.722 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.19 148.77 31.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.454 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.25 127.96 10.22 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.404 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.6 m-70 -156.52 162.08 39.96 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 122.246 -0.284 . . . . 0.0 110.254 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -74.71 157.84 34.59 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 170.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -50.0 -34.39 20.99 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.0 -29.41 69.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.647 -0.658 . . . . 0.0 112.154 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.69 -38.81 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.12 -32.78 70.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.887 0.475 . . . . 0.0 111.897 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.39 -17.87 63.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.56 -21.87 30.29 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.926 0.785 . . . . 0.0 109.676 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.18 -40.65 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.41 2.27 33.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.471 0.308 . . . . 0.0 111.486 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.38 -17.4 62.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.14 31.17 0.08 OUTLIER Glycine 0 C--N 1.338 0.674 0 CA-C-O 119.578 -0.568 . . . . 0.0 113.059 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.43 -41.22 0.12 Allowed 'General case' 0 N--CA 1.458 -0.058 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -171.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.27 27.69 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.849 1.26 . . . . 0.0 113.609 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.88 125.9 3.54 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -53.19 177.05 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 124.413 3.408 . . . . 0.0 114.261 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.708 179.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C4'-C3'-C2' 98.52 -4.18 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.323 -3.377 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 110.368 2.168 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 97.671 -5.029 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 111.796 3.596 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 N19-C1'-C2' 108.878 -2.826 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.466 3.266 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.176 2.974 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.505 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.742 -2.958 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.462 ' C4 ' ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.619 2.589 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.51 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 103.718 2.464 . 0.479 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.51 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O5'-C5'-C4' 115.658 3.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.481 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 111.144 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.872 -3.828 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.054 -3.646 . 0.637 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.626 -3.074 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C4'-C3'-C2' 99.104 -3.596 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.541 -3.159 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.186 -3.514 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.034 2.834 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.07 112.08 13.1 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.338 -1.726 . . . . 0.0 106.338 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD11 " H5'" ' B' ' 52' ' ' ' A' . 4.1 mp -95.71 147.66 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.241 0.544 . . . . 0.0 110.262 -174.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.8 mt -141.37 156.27 45.84 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.779 1.232 . . . . 0.0 107.754 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.4 m -126.62 142.0 51.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -143.84 178.44 7.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -169.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 37.2 ttpt -146.44 155.29 42.45 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.0 m -53.56 125.33 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.897 -171.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.2 8.49 41.28 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.225 -0.764 . . . . 0.0 113.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -116.78 -179.85 3.81 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.749 1.275 . . . . 0.0 111.595 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -134.2 164.35 27.56 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -168.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mt -145.12 161.02 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.539 1.936 . . . . 0.0 107.364 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.56 153.99 49.87 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.22 136.38 25.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 124.399 1.08 . . . . 0.0 108.713 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.08 -145.53 21.21 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -124.38 15.76 8.97 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.568 0.747 . . . . 0.0 110.102 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.05 1.38 2.97 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.553 0.741 . . . . 0.0 111.949 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.36 147.79 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 119.526 1.057 . . . . 0.0 111.433 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.2 m -141.1 156.71 45.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.636 1.174 . . . . 0.0 108.083 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -135.25 148.34 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -145.0 133.57 22.03 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -92.62 92.41 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -68.76 -26.74 65.38 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.96 -0.462 . . . . 0.0 110.889 -172.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.07 -170.72 35.5 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 176.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.33 169.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 122.962 0.505 . . . . 0.0 109.711 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -142.33 45.8 1.63 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.51 -143.57 15.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -170.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 1.45 15.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.016 0.908 . . . . 0.0 111.722 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' HE3' ' C' ' 7' ' ' LYS . 19.1 pt20 -94.56 157.39 16.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 168.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.5 t -134.24 149.18 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.316 1.046 . . . . 0.0 108.19 -171.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.98 122.75 36.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -135.26 143.72 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.06 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.05 161.86 12.6 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.25 146.61 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -140.21 91.95 2.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.97 70.71 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.318 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.47 157.23 61.52 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 123.336 2.691 . . . . 0.0 110.434 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -69.08 -1.84 8.63 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.61 -9.32 53.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.083 1.353 . . . . 0.0 110.824 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.94 161.95 28.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 123.584 0.754 . . . . 0.0 109.05 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.3 34.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.396 0.141 . . . . 0.0 111.043 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -144.93 127.01 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.429 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 13.0 m-70 -155.82 162.12 40.52 Favored 'General case' 0 CA--C 1.521 -0.149 0 O-C-N 122.11 -0.369 . . . . 0.0 111.009 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -71.22 157.1 38.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.87 -36.9 65.61 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -63.81 -26.81 68.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.39 -41.63 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.032 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -58.89 -32.94 69.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 123.733 0.813 . . . . 0.0 112.171 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.22 -18.22 63.87 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.17 -22.19 31.05 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.641 0.655 . . . . 0.0 109.753 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.2 mt -80.21 -41.4 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.49 2.51 32.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -15.8 48.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.14 30.39 0.11 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.901 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.81 -40.36 0.13 Allowed 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -170.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 43.39 24.28 0.05 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.175 0.99 . . . . 0.0 113.17 -171.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.73 67.26 4.79 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 123.603 0.761 . . . . 0.0 109.946 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.36 -31.26 9.23 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 124.399 3.399 . . . . 0.0 114.358 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.455 -0.225 0 C-N-CA 122.528 0.331 . . . . 0.0 110.286 -174.555 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.758 -2.942 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 1 C4'-C3'-C2' 98.56 -4.14 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.103 -3.597 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-C3' 112.433 -2.045 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 C4'-C3'-C2' 98.006 -4.694 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.067 -3.633 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.53 -3.17 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.368 -3.332 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.466 " H4'" ' OP1' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-O3' 119.201 3.308 OUTLIER-EPSILON 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.466 ' OP1' " H4'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.818 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.492 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 103.852 2.614 . 0.509 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.492 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O5'-C5'-C4' 115.456 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.487 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 P-O3'-C3' 124.675 4.146 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 98.807 -3.893 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.123 -3.577 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.326 -3.374 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C4'-C3'-C2' 98.611 -4.089 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.428 -3.272 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.17 -3.53 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.868 2.668 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.1 tpp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.46 127.64 51.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 173.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.49 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.0 mt -126.15 150.8 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 120.947 0.403 . . . . 0.0 111.82 -166.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -144.65 158.14 43.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.712 1.205 . . . . 0.0 109.124 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -129.48 130.07 45.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.429 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 44.6 mtm-85 -139.87 176.98 8.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -171.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 29' ' ' GLN . 21.4 mmtp -116.26 152.71 33.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.8 m -55.56 123.3 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.462 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.42 -19.83 11.44 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 119.31 -0.717 . . . . 0.0 112.564 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.93 173.31 11.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.474 1.137 . . . . 0.0 112.25 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.3 m -140.46 164.24 30.67 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.839 0.856 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.429 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.8 mm -144.09 160.27 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 125.332 1.453 . . . . 0.0 108.482 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.17 151.3 47.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.443 0.639 . . . . 0.0 111.808 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 132.24 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.684 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -144.33 26.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.41 15.15 8.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.731 0.412 . . . . 0.0 110.961 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -135.05 0.55 2.88 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.27 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.19 147.31 30.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.805 1.184 . . . . 0.0 111.763 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -139.42 154.59 47.82 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -131.54 149.98 33.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 124.005 0.922 . . . . 0.0 108.535 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -144.13 144.71 31.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.46 0.304 . . . . 0.0 110.62 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -103.68 94.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 0.8 OUTLIER -70.36 -24.42 62.97 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -173.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.28 -167.98 33.52 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 173.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.19 170.56 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -142.58 49.16 1.51 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.88 0.872 . . . . 0.0 108.652 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.2 -142.98 15.6 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 107.488 -2.245 . . . . 0.0 107.488 -170.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.55 -6.59 58.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.492 0.646 . . . . 0.0 110.876 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 7.0 pt20 -81.81 160.94 23.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 168.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -137.45 149.7 25.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 109.232 -171.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -123.83 122.8 38.97 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.83 147.12 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.517 -167.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.35 157.48 17.02 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -135.01 146.23 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -135.52 96.42 3.45 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.45 62.79 Favored Pre-proline 0 N--CA 1.452 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.551 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.23 158.28 57.7 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 123.469 2.779 . . . . 0.0 110.801 172.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.28 -5.28 4.77 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 110.054 -0.351 . . . . 0.0 110.054 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.78 -11.59 55.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.579 1.552 . . . . 0.0 111.541 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.77 160.11 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.5 27.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 122.327 -0.233 . . . . 0.0 110.584 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -143.67 121.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.112 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 6.0 m-70 -155.87 160.47 40.2 Favored 'General case' 0 C--N 1.337 0.041 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -73.32 158.76 34.48 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -56.74 -22.14 33.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mp0 -65.65 -49.85 67.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.481 -0.762 . . . . 0.0 110.708 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.26 -33.75 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.59 -31.45 66.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.269 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -72.46 -18.63 61.67 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -85.39 -21.34 28.87 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -79.01 -51.21 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -69.96 1.99 3.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -11.66 61.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.021 0.528 . . . . 0.0 112.323 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.57 16.35 0.04 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.436 -0.647 . . . . 0.0 113.359 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.48 -168.17 1.93 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.918 0.859 . . . . 0.0 111.03 -169.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m -141.44 -2.88 1.21 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.398 0.279 . . . . 0.0 111.454 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 114.2 2.57 Favored Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 121.604 -0.685 . . . . 0.0 110.79 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.49 178.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 124.32 3.347 . . . . 0.0 113.47 171.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.078 -179.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.869 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 1 C4'-C3'-C2' 98.44 -4.26 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.227 -3.473 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.322 2.122 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 2 C4'-C3'-C2' 98.256 -4.444 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.92 -3.78 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.566 -3.134 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.94 -2.76 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.417 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C5'-C4'-C3' 109.86 -3.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.429 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.771 2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.646 0 O4'-C1'-N19 110.779 2.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.488 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C3'-C2'-C1' 103.722 2.469 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.49 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O5'-C5'-C4' 115.418 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.488 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.003 -3.697 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.128 -3.572 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.421 -3.279 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.08 -3.62 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.406 -3.294 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.474 -3.226 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 100.191 -2.509 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.1 tpp . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.17 119.07 21.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.86 144.02 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 C-N-CA 123.149 0.579 . . . . 0.0 110.218 -171.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -141.7 157.82 44.58 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.548 1.139 . . . . 0.0 109.156 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -125.44 140.18 53.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -141.9 -179.68 6.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.164 0.985 . . . . 0.0 110.041 -176.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -136.36 161.37 36.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -61.69 116.57 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.779 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.23 -14.05 18.8 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.307 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.95 176.42 8.06 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.244 1.022 . . . . 0.0 111.281 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -141.84 167.83 21.2 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -140.42 160.7 25.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 126.497 1.919 . . . . 0.0 107.543 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -130.58 151.28 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.42 0.555 . . . . 0.0 111.219 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.07 134.18 27.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 123.887 0.875 . . . . 0.0 108.696 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.12 -143.92 33.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.46 15.21 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.762 0.825 . . . . 0.0 110.034 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.27 1.03 2.17 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.574 -0.726 . . . . 0.0 112.494 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 146.9 30.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.409 1.004 . . . . 0.0 111.649 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.6 m -141.06 153.19 45.37 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -132.48 149.03 31.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 123.952 0.901 . . . . 0.0 108.74 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -146.3 129.08 16.25 Favored 'General case' 0 N--CA 1.457 -0.077 0 O-C-N 122.991 0.182 . . . . 0.0 110.575 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.5 tp -82.16 97.17 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 3.3 mt -71.08 -26.51 63.08 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.78 -0.575 . . . . 0.0 110.109 -173.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 -171.56 35.43 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.1 170.9 17.8 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 121.064 0.459 . . . . 0.0 110.41 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -142.69 44.14 1.6 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.155 0.982 . . . . 0.0 108.507 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.3 -143.71 15.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.26 3.89 8.06 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.542 0.671 . . . . 0.0 111.164 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.9 pt20 -99.55 154.53 18.18 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 169.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -136.56 149.39 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -128.57 128.91 45.15 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -134.07 147.87 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.942 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.8 160.56 13.13 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.1 mt -134.4 147.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -138.36 91.66 2.57 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.19 156.53 67.76 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.297 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 157.48 60.73 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 123.076 2.517 . . . . 0.0 110.309 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -69.99 -1.76 10.66 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -69.35 -8.55 47.38 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 125.169 1.388 . . . . 0.0 111.159 173.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -137.79 162.65 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.42 145.2 36.54 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.482 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.84 126.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 5.7 m-70 -156.58 164.67 37.93 Favored 'General case' 0 C--O 1.231 0.092 0 O-C-N 122.174 -0.329 . . . . 0.0 111.019 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -75.79 158.54 32.06 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -47.73 -38.12 14.7 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.63 -45.11 92.94 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.957 0.503 . . . . 0.0 112.187 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.26 -33.16 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' HA ' HG12 ' A' ' 51' ' ' ILE . 89.2 t80 -58.75 -29.68 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -71.95 -18.3 62.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 122.073 -0.392 . . . . 0.0 111.579 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -84.7 -20.45 31.18 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' A' ' 48' ' ' TYR . 10.5 mm -72.02 -61.69 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -66.56 1.4 1.74 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.778 0.831 . . . . 0.0 111.968 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -11.64 56.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.983 0.513 . . . . 0.0 111.7 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.01 15.69 0.04 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.918 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.7 178.9 6.94 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.533 1.167 . . . . 0.0 112.256 -169.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m -153.24 -20.89 0.15 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.353 0.661 . . . . 0.0 110.666 172.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.81 71.91 8.79 Favored Pre-proline 0 N--CA 1.454 -0.257 0 O-C-N 122.247 -0.283 . . . . 0.0 111.283 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.75 179.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.19 3.26 . . . . 0.0 113.328 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.059 179.746 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 100.101 -2.599 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.174 -4.526 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.117 -3.583 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 110.446 2.246 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 2 C4'-C3'-C2' 97.718 -4.982 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 98.838 -3.862 . 0.411 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.349 -3.351 . 0.54 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 111.674 3.474 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.371 3.19 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.407 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.902 -2.798 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.452 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.458 0 C3'-C2'-C1' 103.489 2.21 . 0.495 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.452 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O5'-C5'-C4' 115.036 3.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C5'-C4'-C3' 110.385 -3.41 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.033 -3.667 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.007 -3.693 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.27 -3.43 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.964 -3.736 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.412 -3.288 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.494 -3.206 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.981 -2.719 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.2 tpp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -131.75 116.34 17.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.06 145.72 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.166 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.74 156.47 44.53 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.784 1.234 . . . . 0.0 109.025 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -131.24 140.11 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -141.65 179.55 6.76 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 123.984 0.914 . . . . 0.0 110.719 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 27.9 mttp -130.21 156.91 43.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.5 m -57.38 117.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.041 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.24 14.64 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -87.08 176.69 7.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.031 0.916 . . . . 0.0 110.837 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 57.3 m -141.4 170.32 15.94 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mm -141.36 160.6 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 126.217 1.807 . . . . 0.0 107.102 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -132.35 152.6 51.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.481 0.582 . . . . 0.0 111.889 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -142.91 134.69 24.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 124.296 1.039 . . . . 0.0 108.965 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.17 -143.13 21.54 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -125.1 15.16 8.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.57 0.748 . . . . 0.0 110.406 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -135.12 0.12 2.81 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.397 0.679 . . . . 0.0 112.517 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.1 147.49 30.36 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-N 119.403 1.001 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -141.45 154.42 45.55 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -133.53 149.4 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.1 m -146.21 129.02 16.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.651 0.205 . . . . 0.0 110.629 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.15 92.99 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 175.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.0 -24.53 63.32 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.051 -0.406 . . . . 0.0 110.745 -173.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.33 36.33 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 170.49 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.842 0.353 . . . . 0.0 110.069 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -143.68 45.58 1.49 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.56 -143.72 15.72 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.78 3.71 6.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.678 -0.307 . . . . 0.0 111.563 174.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.24 154.78 17.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 168.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -138.69 149.2 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -125.99 134.38 51.49 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.136 0.97 . . . . 0.0 111.045 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -138.92 145.79 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.858 -167.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.69 158.96 14.18 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.55 147.21 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -138.24 92.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.8 156.06 65.96 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.977 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.61 160.84 47.73 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 123.885 3.057 . . . . 0.0 111.282 172.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.34 -0.77 5.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.417 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.82 -12.33 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.326 1.05 . . . . 0.0 110.082 173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.21 160.66 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.21 0.604 . . . . 0.0 110.085 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.68 145.93 32.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.683 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -143.82 125.17 10.36 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.031 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.407 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 12.2 m-70 -156.8 169.43 24.77 Favored 'General case' 0 C--N 1.338 0.1 0 O-C-N 122.142 -0.349 . . . . 0.0 110.782 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -74.07 160.21 31.58 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.07 -32.41 46.95 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -65.49 -32.71 74.46 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.764 -0.585 . . . . 0.0 112.153 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.4 -37.59 9.73 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -59.18 -32.16 69.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.069 0.548 . . . . 0.0 111.67 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -69.45 -18.36 63.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.257 -0.401 . . . . 0.0 111.63 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.58 -21.57 28.44 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 118.981 0.81 . . . . 0.0 109.637 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.1 mt -78.85 -46.96 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -76.36 2.4 13.6 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.19 -12.3 49.77 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.76 20.26 0.06 OUTLIER Glycine 0 C--N 1.341 0.837 0 CA-C-O 119.637 -0.535 . . . . 0.0 112.887 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -161.48 -166.76 1.58 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.886 0.843 . . . . 0.0 111.292 -168.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -144.4 5.73 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.155 0.582 . . . . 0.0 110.364 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.79 90.77 4.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 123.488 0.715 . . . . 0.0 109.674 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -44.02 142.0 4.14 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 124.18 3.253 . . . . 0.0 114.084 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 125.405 1.482 . . . . 0.0 114.226 176.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.899 -2.801 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.523 -4.177 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.985 -3.715 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C5'-C4'-C3' 112.496 -2.003 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 2 O4'-C1'-N19 112.928 4.728 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 112.117 3.917 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.468 -3.232 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C4'-C3'-C2' 98.834 -3.866 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.18 2.98 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.487 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.652 -3.048 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.954 0 O4'-C1'-N19 111.466 3.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.569 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C4'-C3'-C2' 98.438 -4.262 . 0.341 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.569 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O5'-C5'-C4' 115.784 3.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.547 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 98.874 -3.826 . 0.246 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 98.907 -3.793 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.151 -3.549 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.155 -3.545 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.413 -3.287 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.317 -3.383 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.669 -3.031 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.57 127.73 48.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 50.4 mt -128.04 145.62 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.347 0.118 . . . . 0.0 111.171 -166.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.1 mt -146.49 147.13 30.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 109.3 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -97.04 144.74 26.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.7 mmp_? -140.68 132.19 26.99 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 123.519 0.727 . . . . 0.0 109.641 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -76.66 153.07 35.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -59.89 114.55 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 C-N-CA 118.495 -1.282 . . . . 0.0 110.017 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.22 -14.98 10.16 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 123.955 0.788 . . . . 0.0 112.909 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -85.76 176.85 7.9 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.272 1.036 . . . . 0.0 111.648 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -141.95 168.0 20.79 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 34.1 mm -139.79 161.08 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 126.155 1.782 . . . . 0.0 107.925 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -128.65 149.92 50.46 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.128 0.422 . . . . 0.0 111.582 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -140.17 135.45 36.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.268 1.027 . . . . 0.0 108.389 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.48 31.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -124.48 15.57 8.89 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.46 0.704 . . . . 0.0 109.939 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.67 2.04 1.96 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.818 -0.61 . . . . 0.0 112.559 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.75 147.2 30.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 119.284 0.947 . . . . 0.0 111.275 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.4 m -141.42 154.09 45.4 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -132.06 149.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -145.89 134.42 22.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 122.221 0.208 . . . . 0.0 110.562 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -92.64 97.24 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -69.9 -24.86 63.45 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.841 -0.537 . . . . 0.0 110.637 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.78 -172.17 34.39 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.61 170.22 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -143.64 49.73 1.39 Allowed 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 122.986 0.514 . . . . 0.0 110.205 -175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.76 -102.52 1.99 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -115.81 4.59 13.97 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.311 0.577 . . . . 0.0 109.563 173.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -89.06 163.23 15.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 167.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.72 148.12 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -128.13 122.51 32.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.43 145.4 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.206 -168.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.1 161.09 12.84 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -134.33 146.91 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -138.98 94.94 2.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.92 157.88 60.28 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.309 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.11 159.29 53.65 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.452 3.435 . . . . 0.0 111.625 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.05 -3.99 15.31 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.09 -9.95 44.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.004 0.922 . . . . 0.0 110.449 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.97 160.6 29.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.276 0.63 . . . . 0.0 109.862 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.9 146.38 37.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.153 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.48 121.38 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 10.2 m-70 -156.29 166.0 34.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 111.702 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 40.6 mtp-105 -66.65 157.36 32.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.75 -27.87 60.13 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 110.879 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.24 -32.68 66.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.5 -34.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -58.69 -29.53 66.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.937 0.895 . . . . 0.0 112.242 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -73.12 -18.26 61.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.082 -0.387 . . . . 0.0 111.726 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.48 -21.7 35.45 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.0 -51.8 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -71.9 2.03 6.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.469 0.308 . . . . 0.0 111.47 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.83 60.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.863 0.465 . . . . 0.0 111.971 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.62 18.54 0.04 OUTLIER Glycine 0 C--N 1.342 0.905 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.106 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -162.05 -170.37 2.49 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.143 0.972 . . . . 0.0 111.446 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 7.46 0.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.652 0.381 . . . . 0.0 110.95 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.66 81.79 5.8 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 123.014 0.525 . . . . 0.0 110.359 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.37 176.12 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.76 3.64 . . . . 0.0 114.486 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.332 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 C4'-C3'-C2' 98.627 -4.073 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.119 -3.581 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C5'-C4'-C3' 111.531 -2.646 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 2 O4'-C1'-N19 112.831 4.631 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 1 C4'-C3'-C2' 98.601 -4.099 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.375 -3.325 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.398 -3.302 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.107 4.907 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.532 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 125.485 4.821 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C5'-C4'-C3' 111.099 -2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.459 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.394 0 C3'-C2'-C1' 103.772 2.524 . 0.427 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.483 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O5'-C5'-C4' 115.398 3.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.714 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 C4'-C3'-C2' 99.167 -3.533 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.132 -3.568 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 99.435 -3.265 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 98.77 -3.93 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.432 -3.268 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C4'-C3'-C2' 99.218 -3.482 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 O4'-C1'-N19 110.793 2.593 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -118.08 127.81 54.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.485 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 70.2 mt -127.1 152.08 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.16 0.505 . . . . 0.0 111.533 -166.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -145.18 157.18 44.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.665 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -124.44 126.78 46.49 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -136.53 -174.16 3.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.046 0.538 . . . . 0.0 110.004 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -131.82 162.47 30.49 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.521 0.201 . . . . 0.0 110.798 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.75 118.49 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 121.324 0.583 . . . . 0.0 111.031 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.85 -17.53 13.14 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.773 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -75.16 171.27 14.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.461 1.131 . . . . 0.0 111.698 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -141.78 163.69 32.23 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.581 0.753 . . . . 0.0 110.263 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 mm -145.42 161.05 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.364 1.465 . . . . 0.0 108.694 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -122.42 151.14 41.55 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.028 0.442 . . . . 0.0 112.171 -175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -141.63 133.59 28.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.375 1.07 . . . . 0.0 108.395 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.82 -144.17 27.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.48 15.41 8.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.375 0.67 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.21 1.3 2.42 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.537 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.42 148.2 30.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 119.527 1.058 . . . . 0.0 111.612 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -137.98 154.75 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mm -132.85 149.97 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -144.46 149.07 35.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -107.35 91.51 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 3.5 mt -64.76 -29.94 70.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.99 -168.39 34.5 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -123.0 170.04 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -148.78 45.84 1.02 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.767 0.827 . . . . 0.0 108.798 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.24 -143.31 15.64 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -172.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.68 4.87 8.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 122.869 -0.194 . . . . 0.0 111.288 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -101.33 157.85 16.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.61 134.5 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -97.51 114.26 26.11 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -119.46 138.03 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.44 159.12 13.85 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.0 mt -134.81 147.2 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.26 91.84 2.54 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.52 67.97 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.022 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.63 159.29 54.06 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 124.085 3.19 . . . . 0.0 110.932 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.4 -0.93 2.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.331 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -11.29 56.93 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.367 1.067 . . . . 0.0 110.535 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.87 160.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.591 0.757 . . . . 0.0 109.439 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.53 144.17 34.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.93 124.09 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 7.9 m-70 -156.78 162.5 39.74 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.81 160.14 31.89 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -50.58 -36.77 36.36 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 111.176 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.87 -12.89 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.59 -39.23 3.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.13 -32.05 67.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.521 0.728 . . . . 0.0 111.642 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -67.64 -18.19 64.87 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.32 -21.37 27.32 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.634 0.652 . . . . 0.0 110.04 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -80.59 -41.14 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -82.21 1.88 34.37 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.28 51.63 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.27 30.62 0.1 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.959 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -43.97 0.12 Allowed 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 43.52 20.46 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.856 1.262 . . . . 0.0 113.661 -172.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.36 72.54 3.4 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.094 0.558 . . . . 0.0 110.179 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.37 -170.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.922 3.748 . . . . 0.0 115.971 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-N 114.792 -1.094 . . . . 0.0 112.299 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.666 -3.034 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 98.725 -3.975 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 0 C4'-C3'-C2' 99.265 -3.435 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 110.375 2.175 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 C4'-C3'-C2' 97.442 -5.258 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.872 3.672 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.955 -2.745 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 110.837 2.637 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C5'-C4'-C3' 109.578 -3.948 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.467 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 110.928 -3.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.451 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 C5'-C4'-C3' 112.241 -2.173 . 0.452 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.485 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O5'-C5'-C4' 115.712 3.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 98.936 -3.764 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.113 -3.587 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.478 -3.222 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.089 -3.611 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.325 -3.375 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.326 -3.374 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.987 -2.713 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 tpp . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.43 129.48 54.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.478 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.3 mt -126.29 148.19 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 111.166 -167.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -144.35 156.78 44.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.601 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 m -124.44 136.53 54.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 59.6 mtm-85 -141.35 -177.78 5.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 111.75 -173.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 34.8 mtpt -131.51 159.27 38.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.047 178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.01 119.21 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.857 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.73 -16.19 12.43 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.157 0.884 . . . . 0.0 112.956 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -80.0 171.96 14.41 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.534 1.167 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -139.63 164.28 30.34 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.1 0.56 . . . . 0.0 111.707 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 40.7 mm -142.32 161.53 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 126.043 1.737 . . . . 0.0 108.935 -174.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -126.31 148.1 49.6 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 111.575 -175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -140.27 132.88 33.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.171 0.988 . . . . 0.0 108.71 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.97 -143.33 25.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.94 15.8 8.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.377 0.671 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -135.68 0.68 2.74 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.693 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.08 147.84 29.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 119.58 1.082 . . . . 0.0 111.846 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -140.75 152.58 45.36 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.39 149.78 32.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 123.903 0.881 . . . . 0.0 108.935 -175.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.5 m -147.13 134.58 20.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.266 0.226 . . . . 0.0 110.673 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.0 tp -87.56 97.49 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.38 -28.01 65.81 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.82 -169.12 34.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -127.17 170.27 17.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -146.29 48.27 1.2 Allowed 'General case' 0 C--O 1.227 -0.114 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -174.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.97 -143.8 15.76 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 107.282 -2.327 . . . . 0.0 107.282 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -5.67 54.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.498 1.149 . . . . 0.0 110.95 175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 3.8 pt20 -81.41 157.68 24.88 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.68 148.73 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.45 126.6 39.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 109.275 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -131.63 149.78 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.68 -167.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.97 159.04 14.61 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.6 mt -134.7 147.19 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -136.55 94.48 3.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.87 157.58 64.13 Favored Pre-proline 0 N--CA 1.452 -0.348 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.196 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.48 160.64 48.81 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.101 3.2 . . . . 0.0 112.094 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.67 -4.4 19.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.24 -9.37 39.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.078 0.951 . . . . 0.0 110.72 172.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.63 160.33 27.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 123.375 0.67 . . . . 0.0 109.797 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 146.97 31.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.246 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -144.25 126.32 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 7.1 m-70 -156.21 164.46 38.33 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -79.99 160.88 25.74 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -49.61 -31.21 10.2 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.05 -30.84 70.14 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.774 -0.579 . . . . 0.0 111.98 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.96 -40.0 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.081 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -57.66 -31.75 66.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 122.965 0.506 . . . . 0.0 112.05 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.4 -18.16 63.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.08 -21.85 27.46 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.937 0.79 . . . . 0.0 109.854 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -78.53 -40.94 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.29 2.08 33.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.489 0.316 . . . . 0.0 111.566 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.24 63.09 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.02 32.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.492 -0.616 . . . . 0.0 113.113 177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.92 -37.44 0.1 Allowed 'General case' 0 C--N 1.338 0.108 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 40.85 28.05 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.606 1.162 . . . . 0.0 113.982 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.16 123.17 2.89 Favored Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.566 -0.709 . . . . 0.0 109.67 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -48.24 -42.25 33.72 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.838 3.025 . . . . 0.0 113.103 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -177.502 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 1 C4'-C3'-C2' 98.625 -4.075 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.159 -3.541 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.376 2.176 . 0.562 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 C4'-C3'-C2' 97.983 -4.717 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.869 3.669 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.415 3.215 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.909 2.709 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 C5'-C4'-C3' 108.979 -4.347 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.592 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.427 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 C3'-C2'-C1' 103.673 2.415 . 0.493 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.478 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O5'-C5'-C4' 115.256 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C5'-C4'-C3' 110.39 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.034 -3.666 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C4'-C3'-C2' 98.674 -4.026 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.208 -3.492 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 98.801 -3.899 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.22 -3.48 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 99.28 -3.42 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.934 -2.766 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.2 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.45 116.75 18.66 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' D' ' 52' ' ' ' A' . 3.6 mp -102.45 146.15 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.006 0.522 . . . . 0.0 110.461 -171.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.07 156.56 44.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.701 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -131.57 140.99 49.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.2 mmp_? -143.22 -179.54 6.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.218 1.007 . . . . 0.0 109.013 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 15.5 ttmm -133.5 158.13 43.9 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 29.9 m -50.94 124.23 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.202 0.525 . . . . 0.0 111.062 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.77 7.9 38.09 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.086 -0.841 . . . . 0.0 113.315 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -116.16 176.38 5.12 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.902 1.351 . . . . 0.0 110.988 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -140.41 165.56 27.08 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -136.0 160.99 38.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 127.001 2.12 . . . . 0.0 107.499 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -132.79 149.71 52.24 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.629 0.649 . . . . 0.0 111.896 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -141.27 133.56 29.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 124.043 0.937 . . . . 0.0 108.843 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -144.6 27.6 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.62 15.86 8.8 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.352 0.661 . . . . 0.0 110.4 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -135.91 1.12 2.73 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.635 -0.697 . . . . 0.0 112.23 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.36 145.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 119.809 1.186 . . . . 0.0 111.597 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -141.32 154.88 45.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.51 149.16 32.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -146.31 127.95 15.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 117.985 0.357 . . . . 0.0 111.037 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.1 tp -82.53 99.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.76 -29.04 65.16 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.001 -0.437 . . . . 0.0 110.012 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.9 -171.66 35.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.78 170.73 15.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.399 0.619 . . . . 0.0 110.34 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.6 m -141.12 41.55 1.79 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.206 1.002 . . . . 0.0 108.694 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.97 -143.7 15.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.25 7.59 2.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 117.435 0.617 . . . . 0.0 111.462 173.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 10.7 pt20 -107.41 153.46 22.76 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 170.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.32 150.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -168.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 ttm105 -128.88 123.0 31.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.45 144.45 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.982 -168.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.9 164.04 12.14 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.48 147.03 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -138.75 91.96 2.58 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 158.73 56.61 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.075 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.57 156.48 65.4 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 122.92 2.413 . . . . 0.0 109.66 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -73.21 -0.75 15.22 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.44 -8.39 25.75 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.727 1.211 . . . . 0.0 110.278 170.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.11 160.47 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.12 146.77 36.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.2 m -144.34 126.81 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -155.49 164.26 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 111.223 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 56.1 ttt85 -69.61 154.74 41.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 171.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.63 -33.67 47.8 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.205 -0.31 . . . . 0.0 110.807 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 26.1 tp10 -63.8 -40.36 96.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.294 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.36 -40.19 21.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.5 -31.8 69.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.304 0.642 . . . . 0.0 111.96 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.74 -18.01 62.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.18 -21.52 27.47 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-N 118.746 0.703 . . . . 0.0 109.905 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.0 mt -77.98 -41.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -82.6 2.24 34.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.757 0.423 . . . . 0.0 111.757 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.99 -15.77 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.3 28.98 0.11 Allowed Glycine 0 CA--C 1.523 0.582 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.012 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.04 -41.75 0.13 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -171.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.37 28.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.185 0.994 . . . . 0.0 113.065 -172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.76 6.27 Favored Pre-proline 0 CA--C 1.53 0.186 0 C-N-CA 123.535 0.734 . . . . 0.0 110.388 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -44.66 146.99 1.93 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.441 3.428 . . . . 0.0 113.136 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 N--CA 1.455 -0.18 0 C-N-CA 124.47 1.108 . . . . 0.0 112.633 179.268 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.927 -2.773 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 C4'-C3'-C2' 98.551 -4.149 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 98.959 -3.741 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 112.004 -2.331 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 2 C4'-C3'-C2' 97.796 -4.904 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 C4'-C3'-C2' 98.941 -3.759 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.061 -3.639 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.209 -3.491 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.465 " H4'" ' OP1' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-O3' 118.845 3.171 OUTLIER-EPSILON 0.764 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.465 ' OP1' " H4'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.838 1 P-O3'-C3' 126.215 5.429 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 0 C5'-C4'-C3' 110.776 -3.149 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.493 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C4'-C3'-C2' 100.465 -2.235 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.493 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.492 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C5'-C4'-C3' 110.622 -3.252 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 98.854 -3.846 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 C4'-C3'-C2' 98.612 -4.088 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.161 -3.539 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.124 -3.576 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.207 -3.493 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C4'-C3'-C2' 99.194 -3.506 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.819 -2.881 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.28 116.75 18.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.5 mp -101.01 146.13 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.332 0.586 . . . . 0.0 110.141 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.05 156.47 45.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.471 1.108 . . . . 0.0 108.675 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -129.92 137.62 50.46 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 1.9 mmp_? -143.56 -179.4 6.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.215 1.006 . . . . 0.0 108.907 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.0 mtpt -133.54 162.55 31.59 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.8 m -60.91 123.78 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.887 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.26 15.61 29.81 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.949 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -120.15 176.3 5.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.329 1.065 . . . . 0.0 110.495 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -143.31 168.28 20.18 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -140.86 161.99 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 126.472 1.909 . . . . 0.0 107.847 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.33 150.66 50.6 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.244 0.475 . . . . 0.0 112.173 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.06 131.11 22.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.532 1.133 . . . . 0.0 108.652 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.94 -144.63 34.85 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.95 15.51 8.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.343 0.657 . . . . 0.0 110.492 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -135.99 0.41 2.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.596 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.54 146.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 CA-C-N 119.462 1.028 . . . . 0.0 111.232 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m -140.54 155.03 46.74 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -131.01 147.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.8 m -146.02 127.13 14.67 Favored 'General case' 0 CA--C 1.524 -0.052 0 CA-C-O 120.736 0.303 . . . . 0.0 110.524 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.7 tp -84.76 99.41 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.9 mt -70.44 -28.27 64.91 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.7 -172.43 35.56 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.95 170.6 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-O 121.032 0.444 . . . . 0.0 110.066 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -140.9 42.44 1.83 Allowed 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.349 1.06 . . . . 0.0 108.644 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -143.39 15.67 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.11 13.16 0.74 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.657 0.729 . . . . 0.0 111.224 174.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.81 154.42 28.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.59 150.12 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.318 0.647 . . . . 0.0 109.569 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -127.95 123.28 34.5 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -135.89 145.96 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.276 -168.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.1 162.67 12.34 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.18 147.29 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -139.31 92.07 2.55 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -172.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.83 156.4 68.76 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.26 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.47 156.35 63.98 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 122.831 2.354 . . . . 0.0 109.652 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.26 -0.54 3.56 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.84 -13.1 61.2 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.608 1.563 . . . . 0.0 111.21 174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.5 161.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 123.644 0.778 . . . . 0.0 109.264 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.68 146.95 35.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.575 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.79 127.84 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 10.3 m-70 -156.98 164.13 38.35 Favored 'General case' 0 C--N 1.339 0.121 0 O-C-N 122.152 -0.342 . . . . 0.0 111.839 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -69.41 155.71 40.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -53.17 -32.17 46.42 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -65.98 -42.16 90.19 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -34.8 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HG12 ' A' ' 51' ' ' ILE . 85.9 t80 -58.92 -32.13 69.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.333 0.653 . . . . 0.0 112.175 -176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -69.4 -18.17 63.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.132 -0.355 . . . . 0.0 111.93 -178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -86.84 -21.74 26.23 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.479 HG12 ' HA ' ' A' ' 48' ' ' TYR . 9.6 mm -69.71 -48.13 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -81.26 1.72 31.16 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.095 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.44 63.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.822 0.449 . . . . 0.0 111.616 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 27.54 0.11 Allowed Glycine 0 C--N 1.34 0.776 0 CA-C-O 119.509 -0.606 . . . . 0.0 113.208 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -157.26 26.51 0.3 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -169.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -61.89 -8.78 5.48 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.985 0.811 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.71 78.07 12.0 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 124.959 1.304 . . . . 0.0 108.128 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.9 171.54 0.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 124.932 3.755 . . . . 0.0 114.59 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 CA--C 1.531 0.25 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.496 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 100.036 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 C4'-C3'-C2' 98.356 -4.344 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.107 -3.593 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 112.154 -2.231 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 2 C4'-C3'-C2' 97.427 -5.273 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.231 -3.469 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 98.996 -3.704 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C4'-C3'-C2' 98.656 -4.044 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 110.847 2.647 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.437 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.831 -2.869 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.639 0 C5'-C4'-C3' 110.421 -3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.529 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.38 2.088 . 0.466 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.488 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O5'-C5'-C4' 115.157 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.529 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C5'-C4'-C3' 110.363 -3.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.707 -3.993 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.985 -3.715 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.3 -3.4 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 98.989 -3.711 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C4'-C3'-C2' 99.252 -3.448 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.187 -3.513 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.616 -3.084 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.67 126.7 52.49 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.465 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.62 149.16 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.461 -167.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.14 156.84 44.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.474 1.11 . . . . 0.0 108.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -125.84 135.0 51.47 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.581 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 63.8 mtm-85 -141.34 -179.11 5.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.155 0.284 . . . . 0.0 111.498 -172.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -126.04 159.7 32.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -63.85 117.16 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.99 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.72 -14.78 10.58 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.809 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -79.86 173.99 12.03 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.629 1.214 . . . . 0.0 112.003 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -139.95 167.48 22.03 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.259 0.624 . . . . 0.0 111.05 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.581 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 38.1 mm -145.92 161.54 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.636 1.575 . . . . 0.0 108.856 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -126.58 148.04 49.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.704 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -139.55 132.2 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.85 -142.73 20.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.58 15.6 8.82 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.827 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -134.54 -0.74 2.88 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.736 -0.65 . . . . 0.0 112.696 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.57 147.7 29.77 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 CA-C-N 119.612 1.096 . . . . 0.0 111.525 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.8 m -140.73 153.04 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -131.62 149.97 33.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 123.931 0.892 . . . . 0.0 108.99 -175.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -145.15 139.69 27.45 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 122.43 0.292 . . . . 0.0 110.577 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.465 ' HB ' HH21 ' C' ' 6' ' ' ARG . 1.8 tp -96.75 96.01 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.0 OUTLIER -70.12 -26.51 64.0 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -174.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.52 -168.14 33.67 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.2 169.81 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 122.995 0.518 . . . . 0.0 109.7 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -147.18 47.61 1.14 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.9 -143.59 15.81 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 -169.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.9 8.58 10.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.118 0.959 . . . . 0.0 111.157 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.9 pt20 -96.11 161.88 13.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.69 148.85 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 32.5 ttm105 -129.03 126.14 38.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -130.28 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.845 -167.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.21 157.14 15.78 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.72 147.73 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -137.32 93.29 2.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.77 156.86 68.7 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.56 159.98 51.48 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.988 3.125 . . . . 0.0 111.872 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.94 -3.67 17.1 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.437 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.86 -10.67 50.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.052 0.941 . . . . 0.0 110.57 171.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.31 160.56 28.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 123.351 0.66 . . . . 0.0 109.48 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.55 148.92 32.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -144.52 127.18 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.437 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 3.8 m-70 -155.08 157.8 38.09 Favored 'General case' 0 C--O 1.23 0.056 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -69.09 157.37 36.97 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.35 -24.89 31.74 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 122.173 -0.329 . . . . 0.0 111.838 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.683 -0.635 . . . . 0.0 111.728 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.57 -40.33 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.69 -32.33 67.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.297 0.639 . . . . 0.0 112.203 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.03 -18.43 64.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 119.169 -0.443 . . . . 0.0 111.973 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.11 -21.36 26.05 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.692 0.678 . . . . 0.0 110.166 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 71.9 mt -79.84 -41.2 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -81.99 2.12 32.33 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 122.261 0.224 . . . . 0.0 111.512 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.36 58.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.74 30.13 0.11 Allowed Glycine 0 C--N 1.342 0.869 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.633 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -41.13 0.13 Allowed 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -171.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m 41.53 28.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.332 1.053 . . . . 0.0 113.116 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 124.85 3.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.139 0.576 . . . . 0.0 109.473 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.61 173.07 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.33 3.353 . . . . 0.0 114.617 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.061 0.944 . . . . 0.0 112.482 -179.343 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.465 -3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.337 1 C4'-C3'-C2' 98.401 -4.299 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.09 -3.61 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.788 2.588 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C4'-C3'-C2' 97.821 -4.879 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 C4'-C3'-C2' 98.517 -4.183 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 111.105 2.905 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 100.002 -2.698 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 C3'-C2'-C1' 105.389 4.321 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.5 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.949 2.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.598 0 O4'-C1'-N19 111.477 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.572 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C4'-C3'-C2' 98.051 -4.649 . 0.069 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.572 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O5'-C5'-C4' 116.471 4.48 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.452 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-C3' 110.838 -3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.099 -3.601 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.991 -3.709 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.045 -3.655 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 C4'-C3'-C2' 98.985 -3.715 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.133 -3.567 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.299 -3.401 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 C4'-C3'-C2' 99.888 -2.812 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 38.3 tpp . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.37 112.94 12.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.43 HG12 ' N7 ' ' B' ' 51' ' ' ' A' . 0.0 OUTLIER -98.33 153.61 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 CA-C-O 121.162 0.506 . . . . 0.0 111.471 -172.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -146.2 156.62 43.53 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.061 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.7 m -127.91 133.81 49.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 53.8 mtm-85 -139.9 -175.74 4.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 122.922 0.489 . . . . 0.0 110.718 -172.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -131.84 163.46 28.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.14 116.14 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.482 0.658 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -14.92 12.39 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.359 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -80.0 171.47 15.06 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.629 1.214 . . . . 0.0 111.915 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -140.35 163.8 31.8 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.145 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 42.0 mm -144.46 161.2 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.688 1.595 . . . . 0.0 108.858 -173.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.41 148.92 45.64 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.158 0.436 . . . . 0.0 111.781 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.59 132.68 36.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 124.374 1.07 . . . . 0.0 108.248 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -143.94 33.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -124.81 15.32 8.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.184 0.594 . . . . 0.0 109.745 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.87 1.86 2.33 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.31 0.644 . . . . 0.0 112.636 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.18 146.8 29.68 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.243 0.929 . . . . 0.0 111.138 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -138.21 153.07 49.15 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -131.53 149.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.5 m -147.53 134.62 20.4 Favored 'General case' 0 C--O 1.227 -0.084 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -90.7 96.25 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.4 mt -68.31 -27.18 66.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 122.014 -0.429 . . . . 0.0 110.174 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.22 -169.19 33.71 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 174.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -124.71 169.77 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.7 m -146.89 55.14 1.11 Allowed 'General case' 0 C--N 1.337 0.059 0 C-N-CA 123.593 0.757 . . . . 0.0 109.493 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.9 -127.68 9.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 107.249 -2.34 . . . . 0.0 107.249 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.474 HE22 ' CG2' ' C' ' 25' ' ' VAL . 13.4 tp60 -98.29 0.84 46.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -80.49 163.26 23.9 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 167.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.84 148.2 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -128.96 126.62 40.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 109.147 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -130.6 149.34 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.047 -168.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.15 156.73 15.87 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.67 147.22 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -136.26 95.54 3.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.06 156.94 68.01 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.22 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.7 159.63 52.09 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.972 3.115 . . . . 0.0 111.8 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -69.25 -4.09 16.44 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.72 -10.82 50.87 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.746 0.818 . . . . 0.0 110.398 171.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.26 160.78 28.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.528 0.731 . . . . 0.0 109.539 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.41 151.39 26.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -145.85 128.83 9.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.517 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 6.8 m-70 -156.11 166.06 34.59 Favored 'General case' 0 CA--C 1.522 -0.132 0 O-C-N 122.324 -0.235 . . . . 0.0 110.379 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -67.93 157.44 34.98 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.63 -21.53 40.13 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -69.57 -51.89 31.24 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.686 -0.634 . . . . 0.0 110.988 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -31.08 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HA ' HG12 ' A' ' 51' ' ' ILE . 87.7 t80 -56.7 -32.22 65.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.759 0.424 . . . . 0.0 111.939 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -70.87 -17.99 62.7 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.958 -0.463 . . . . 0.0 111.795 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -83.05 -21.84 33.67 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -73.85 -46.39 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -82.47 2.36 33.16 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.369 0.668 . . . . 0.0 111.674 -176.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.65 64.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.24 34.8 0.11 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-O 119.348 -0.695 . . . . 0.0 112.915 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -153.49 22.35 0.54 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 p -67.12 -4.85 11.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.115 0.87 . . . . 0.0 110.288 170.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.91 76.73 10.44 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 125.577 1.551 . . . . 0.0 107.657 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.78 171.99 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 1 C-N-CA 125.337 4.025 . . . . 0.0 114.691 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.717 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 98.786 -3.914 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 110.468 2.268 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 C4'-C3'-C2' 97.399 -5.301 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.154 -3.546 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.19 2.99 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 112.83 2.593 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 109.272 -4.152 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C4'-C3'-C2' 99.783 -2.917 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . 0.406 ' C4 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.618 2.477 0 C5'-C4'-C3' 111.127 -2.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.462 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.561 0 C3'-C2'-C1' 103.66 2.4 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.455 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O5'-C5'-C4' 114.673 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.462 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 98.919 -3.781 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 98.888 -3.812 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.135 -3.565 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 98.927 -3.773 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C4'-C3'-C2' 99.545 -3.155 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.497 -3.203 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 110.895 2.695 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.97 121.79 27.25 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -109.22 148.66 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.302 0.572 . . . . 0.0 110.561 -171.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.39 156.41 44.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.997 1.319 . . . . 0.0 108.743 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -128.61 133.74 48.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -137.41 -176.42 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.263 1.025 . . . . 0.0 108.996 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -137.64 167.06 22.44 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 15.5 m -59.97 119.78 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 119.099 -1.041 . . . . 0.0 111.071 -175.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.99 -11.63 24.74 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.616 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -89.02 178.86 6.28 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.274 1.037 . . . . 0.0 111.773 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -136.85 163.2 31.21 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.0 mt -141.8 160.72 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 126.27 1.828 . . . . 0.0 107.385 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.72 153.47 48.5 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -142.44 137.05 28.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.492 1.117 . . . . 0.0 108.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.55 -145.53 23.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.38 15.98 8.97 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.644 0.778 . . . . 0.0 110.18 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -136.5 1.63 2.63 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 123.473 0.709 . . . . 0.0 112.296 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.16 146.27 31.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 119.469 1.031 . . . . 0.0 111.153 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 73.5 m -140.46 155.83 46.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.48 148.94 29.5 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.9 m -143.35 137.6 28.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.29 91.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 23' ' ' LEU . 0.3 OUTLIER -70.22 -23.54 62.95 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.118 -0.364 . . . . 0.0 111.593 -173.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.5 -171.96 37.61 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.119 0.418 . . . . 0.0 113.037 176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.474 ' CG2' HE22 ' A' ' 28' ' ' GLN . 3.0 m -126.84 170.56 16.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 122.777 0.431 . . . . 0.0 110.042 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -143.1 49.52 1.45 Allowed 'General case' 0 C--N 1.338 0.107 0 C-N-CA 123.03 0.532 . . . . 0.0 109.951 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.15 -102.64 1.97 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 108.618 -1.793 . . . . 0.0 108.618 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -115.49 2.48 13.86 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -85.95 162.77 18.38 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 167.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -138.7 148.72 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -123.88 120.99 34.17 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -138.56 141.88 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.554 -168.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.02 162.32 12.46 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.4 mt -134.12 147.05 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.4 95.03 2.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.59 62.66 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.428 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 160.01 50.13 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.228 3.286 . . . . 0.0 111.731 172.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' C4 ' ' B' ' 50' ' ' ' G' . 34.2 mmtp -69.56 -4.53 19.48 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.275 173.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.58 -10.97 50.78 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.951 0.901 . . . . 0.0 110.193 172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -139.5 160.67 27.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 123.377 0.671 . . . . 0.0 109.476 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.14 149.46 33.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.294 -174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.42 127.21 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -156.66 164.88 37.65 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 111.401 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 59.3 ttt85 -67.81 152.58 45.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.89 -22.06 34.32 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 25.9 tp10 -72.8 -44.62 61.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.522 0.601 . . . . 0.0 110.599 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.48 -35.98 53.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.55 -32.12 71.19 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.371 0.668 . . . . 0.0 112.599 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.84 -18.24 62.09 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.781 -0.575 . . . . 0.0 112.453 -176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -84.12 -21.4 31.43 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.549 0.613 . . . . 0.0 109.508 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -79.4 -41.25 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -82.46 2.07 34.52 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.407 0.283 . . . . 0.0 111.327 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -16.93 58.82 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.01 29.68 0.09 OUTLIER Glycine 0 C--N 1.34 0.784 0 CA-C-O 119.551 -0.583 . . . . 0.0 113.14 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.01 -41.22 0.13 Allowed 'General case' 0 C--N 1.337 0.063 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 40.73 27.31 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.575 1.15 . . . . 0.0 113.61 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 124.83 3.31 Favored Pre-proline 0 N--CA 1.452 -0.373 0 O-C-N 121.614 -0.679 . . . . 0.0 109.275 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.24 175.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.332 3.355 . . . . 0.0 114.275 174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.723 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.896 -2.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C4'-C3'-C2' 98.638 -4.062 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.076 -3.624 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 110.348 2.148 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 2 C4'-C3'-C2' 97.757 -4.943 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 1 O4'-C1'-N19 112.226 4.026 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.571 -3.129 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 99.921 -2.779 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 C3'-C2'-C1' 105.256 4.173 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.517 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.776 2.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C5'-C4'-C3' 111.18 -2.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.547 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C3'-C2'-C1' 103.513 2.236 . 0.469 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.451 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O5'-C5'-C4' 114.839 3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.547 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.186 -3.514 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 98.936 -3.764 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.556 -3.144 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.077 -3.623 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 111.217 3.017 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.567 -3.133 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 111.209 3.009 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -127.51 117.48 22.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.418 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.5 mp -102.53 147.6 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.491 0.663 . . . . 0.0 110.532 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.07 156.42 45.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.934 1.294 . . . . 0.0 108.327 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 m -129.39 137.43 50.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.4 mmp_? -141.07 -178.94 5.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -176.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 38.0 ttpt -144.66 155.21 43.48 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 16.5 m -50.53 120.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.076 0 CA-C-O 121.513 0.673 . . . . 0.0 112.578 -170.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.68 -17.27 23.24 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.768 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -84.37 178.08 7.9 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.157 0.978 . . . . 0.0 111.868 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -139.77 163.33 32.91 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -171.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 161.07 22.9 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 C-N-CA 126.632 1.973 . . . . 0.0 107.703 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -139.18 154.29 48.04 Favored 'General case' 0 C--O 1.231 0.118 0 O-C-N 121.663 -0.648 . . . . 0.0 112.333 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -142.21 136.36 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.36 1.064 . . . . 0.0 108.48 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.24 -145.35 31.0 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -124.28 15.41 9.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.578 0.751 . . . . 0.0 109.518 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -137.14 1.74 2.48 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.793 -0.623 . . . . 0.0 112.156 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.27 147.5 30.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-N 119.253 0.933 . . . . 0.0 111.157 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -140.87 154.81 46.33 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.76 148.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 124.042 0.937 . . . . 0.0 108.55 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -144.55 129.75 18.66 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.469 0.176 . . . . 0.0 110.707 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.1 tp -85.35 95.38 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -70.06 -26.59 64.09 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.896 -0.502 . . . . 0.0 110.712 -174.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.67 -171.89 36.15 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.06 170.58 18.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.045 0.45 . . . . 0.0 110.029 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -143.6 45.8 1.5 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.026 0.93 . . . . 0.0 108.805 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.63 -143.14 15.66 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 108.894 -1.683 . . . . 0.0 108.894 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.97 9.28 2.52 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 117.404 0.602 . . . . 0.0 111.165 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.6 156.52 18.17 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 169.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -135.61 149.39 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.664 0.786 . . . . 0.0 109.091 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -126.4 122.43 35.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -137.11 147.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.0 -168.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.54 160.46 13.13 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 74.4 mt -134.47 147.3 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.14 94.67 2.78 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.52 158.36 63.5 Favored Pre-proline 0 N--CA 1.452 -0.333 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.141 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.84 159.95 49.17 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 123.681 2.92 . . . . 0.0 111.79 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.7 mmtp -69.97 -4.2 19.64 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.284 174.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.93 -9.46 38.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.891 0.876 . . . . 0.0 110.422 171.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.08 163.34 26.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 123.601 0.761 . . . . 0.0 109.676 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 147.13 39.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.37 124.1 10.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -156.33 163.36 39.59 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.047 0.451 . . . . 0.0 111.417 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -72.38 156.74 38.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.39 -31.35 44.44 Favored 'General case' 0 N--CA 1.46 0.055 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -69.98 -29.78 66.96 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.194 -0.317 . . . . 0.0 111.781 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.26 -33.32 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' HA ' HG12 ' A' ' 51' ' ' ILE . 87.1 t80 -57.95 -31.86 67.26 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.4 0.68 . . . . 0.0 112.022 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.85 -17.44 63.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -86.08 -21.3 27.76 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG12 ' HA ' ' A' ' 48' ' ' TYR . 13.2 mm -70.56 -55.1 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -71.82 2.29 5.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.347 0.659 . . . . 0.0 111.607 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.02 61.84 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.892 0.477 . . . . 0.0 112.194 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.47 20.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.359 -0.689 . . . . 0.0 113.633 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -163.2 -166.24 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.009 0.904 . . . . 0.0 111.486 -169.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -143.45 6.32 1.47 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.04 4.74 Favored Pre-proline 0 N--CA 1.452 -0.351 0 O-C-N 121.693 -0.629 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.0 -179.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 124.901 3.734 . . . . 0.0 112.859 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 123.469 0.707 . . . . 0.0 111.603 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.74 -3.96 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.066 -3.634 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.472 -2.019 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 C4'-C3'-C2' 97.963 -4.737 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C4'-C3'-C2' 98.61 -4.09 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.278 -3.422 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.403 -3.297 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.416 H5'' ' C8 ' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 3 C3'-C2'-C1' 105.26 4.178 OUTLIER-DELTA 0.091 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.558 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 110.734 2.534 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C5'-C4'-C3' 111.081 -2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.552 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C3'-C2'-C1' 103.605 2.339 . 0.467 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.463 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.158 3.542 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.552 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-C3' 110.77 -3.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 98.843 -3.857 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 98.829 -3.871 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.186 -3.514 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.013 -3.687 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.424 -3.276 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 C4'-C3'-C2' 99.295 -3.405 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.009 2.809 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 41.2 tpp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.8 109.79 10.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.8 150.45 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 C-N-CA 122.879 0.472 . . . . 0.0 110.274 -172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -145.11 157.63 44.05 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.981 1.313 . . . . 0.0 108.454 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.07 133.67 46.86 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.511 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 54.3 mtm-85 -143.86 -178.68 6.04 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 122.66 0.384 . . . . 0.0 111.619 -172.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -125.92 159.94 31.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.694 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.7 122.29 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.568 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.08 -16.63 20.24 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.652 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -77.67 170.99 15.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.32 1.06 . . . . 0.0 111.51 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.7 166.83 23.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.426 0.69 . . . . 0.0 110.781 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.511 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 39.3 mm -145.3 161.27 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 125.547 1.539 . . . . 0.0 108.374 -175.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -124.64 148.48 47.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.023 0.439 . . . . 0.0 111.678 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -139.06 135.36 42.2 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 124.228 1.011 . . . . 0.0 108.572 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.17 -143.47 30.03 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.286 -1.125 . . . . 0.0 110.286 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -124.75 15.52 8.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.277 0.631 . . . . 0.0 109.739 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.67 3.22 1.86 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.303 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.53 147.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-N 119.612 1.096 . . . . 0.0 111.422 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -140.53 153.38 46.14 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -131.42 149.6 33.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 C-N-CA 124.097 0.959 . . . . 0.0 108.639 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -146.53 130.53 17.29 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.204 0.201 . . . . 0.0 111.067 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.78 97.24 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 174.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.3 mt -68.23 -29.14 67.89 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.876 -0.515 . . . . 0.0 109.839 -174.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.42 -169.31 34.91 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.37 170.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.904 0.383 . . . . 0.0 110.064 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -143.05 46.53 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.53 15.71 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -9.6 58.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 117.648 0.724 . . . . 0.0 111.089 174.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.1 pt20 -81.72 156.34 25.06 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -137.66 148.99 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -130.26 126.04 36.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.237 0.541 . . . . 0.0 109.588 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.08 150.48 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.319 -167.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.47 158.99 16.15 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.55 146.97 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -136.23 93.64 2.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.62 66.01 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.23 160.89 48.06 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.875 3.05 . . . . 0.0 111.237 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -67.47 -0.87 4.1 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.537 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.98 -11.72 57.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.477 1.111 . . . . 0.0 110.502 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.33 160.47 28.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 123.626 0.77 . . . . 0.0 110.149 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.51 145.63 29.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.5 127.18 13.51 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.558 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 11.6 m-70 -156.26 161.52 40.23 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.8 157.58 36.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.36 -22.83 45.16 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -66.62 -45.32 79.5 Favored 'General case' 0 C--N 1.339 0.128 0 O-C-N 121.646 -0.658 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.85 -34.78 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.75 -32.75 69.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -71.0 -18.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.015 -0.428 . . . . 0.0 111.996 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.57 -21.43 26.87 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.318 0.508 . . . . 0.0 109.635 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.3 -49.09 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.17 1.94 10.13 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.72 -14.33 62.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.38 24.55 0.03 OUTLIER Glycine 0 C--N 1.34 0.799 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.065 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -167.3 -168.7 1.1 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.147 0.974 . . . . 0.0 111.601 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 4.4 m -142.26 -0.26 1.28 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.314 0.646 . . . . 0.0 110.086 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.01 89.56 4.28 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 123.999 0.92 . . . . 0.0 108.834 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -43.97 133.56 8.32 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 124.271 3.314 . . . . 0.0 113.621 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 125.131 1.373 . . . . 0.0 114.085 177.566 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.94 -2.76 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C4'-C3'-C2' 98.461 -4.239 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 C4'-C3'-C2' 99.064 -3.636 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 110.179 1.979 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 2 C4'-C3'-C2' 97.833 -4.867 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.869 3.669 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 N19-C1'-C2' 108.567 -3.02 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.18 2.98 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.42 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 112.039 3.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.435 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.618 2.511 0 O4'-C1'-N19 110.77 2.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.553 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.456 0 C4'-C3'-C2' 98.806 -3.894 . 0.334 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.526 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.875 1 O5'-C5'-C4' 116.017 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.553 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 110.686 -3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 C4'-C3'-C2' 98.972 -3.728 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.968 -3.732 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.519 -3.181 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 98.967 -3.733 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 99.123 -3.577 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.006 -3.694 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.049 2.849 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -120.8 128.32 52.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 61.9 mt -122.94 144.69 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 110.719 -167.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.43 156.64 46.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.329 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -127.68 137.11 52.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.305 0.574 . . . . 0.0 109.539 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -141.19 -179.19 5.97 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.431 1.092 . . . . 0.0 109.535 -173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 82.7 tttt -138.75 156.63 47.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.5 m -50.96 123.42 2.69 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 C-N-CA 119.743 -0.783 . . . . 0.0 111.82 -174.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.43 4.59 32.59 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.479 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -113.45 176.76 4.89 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.367 1.084 . . . . 0.0 111.271 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -141.01 170.1 16.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mm -141.35 161.03 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 126.379 1.871 . . . . 0.0 107.302 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -131.5 151.63 51.41 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.585 -0.697 . . . . 0.0 112.068 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -141.21 135.07 31.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 C-N-CA 124.078 0.951 . . . . 0.0 108.815 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.25 -143.74 20.77 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.86 15.56 8.62 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.302 0.641 . . . . 0.0 110.421 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -135.66 1.03 2.78 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.472 0.709 . . . . 0.0 112.433 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.25 146.17 31.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 119.608 1.094 . . . . 0.0 111.468 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.0 m -141.49 155.45 45.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.522 1.129 . . . . 0.0 108.302 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -132.94 149.33 31.71 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -145.13 130.99 19.11 Favored 'General case' 0 C--N 1.337 0.029 0 CA-C-N 117.933 0.333 . . . . 0.0 110.668 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.7 tp -87.6 93.84 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 1.2 mt -70.1 -25.96 63.75 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.063 -0.398 . . . . 0.0 111.273 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.96 36.56 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 117.82 0.282 . . . . 0.0 112.658 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' CG2' HE22 ' C' ' 28' ' ' GLN . 2.5 m -129.59 170.72 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 122.582 0.353 . . . . 0.0 110.849 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.6 m -142.89 49.81 1.46 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.821 0.848 . . . . 0.0 110.571 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -103.7 2.15 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 0.95 15.07 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 172.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.14 161.32 22.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 166.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.77 148.98 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -126.9 123.71 37.87 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.6 mt -136.98 144.3 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.209 -168.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.88 162.54 12.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -134.31 147.1 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -139.79 93.41 2.65 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.77 64.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.137 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.46 158.58 55.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 124.017 3.144 . . . . 0.0 111.556 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -68.34 -4.45 14.51 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.73 -9.94 41.75 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.955 0.902 . . . . 0.0 110.551 172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 m -139.62 160.79 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.599 0.76 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 43' ' ' HIS . . . -114.88 150.38 35.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.14 127.68 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 9.1 m-70 -155.9 164.63 38.26 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.836 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -68.15 155.21 40.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.36 -31.79 55.4 Favored 'General case' 0 C--O 1.228 -0.07 0 CA-C-N 118.232 0.469 . . . . 0.0 111.121 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.75 -28.38 65.73 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.71 -35.11 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.2 t80 -58.06 -31.91 67.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.62 0.768 . . . . 0.0 112.442 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.47 -17.93 64.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.661 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.05 -21.89 29.21 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.0 mm -73.08 -45.98 52.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -82.5 2.02 34.9 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.517 0.727 . . . . 0.0 111.335 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.23 -17.04 64.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.14 0.576 . . . . 0.0 112.08 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.68 34.81 0.14 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.079 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -152.7 22.61 0.6 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 p -67.84 -7.58 29.09 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.138 0.881 . . . . 0.0 109.866 170.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.59 75.74 8.46 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 125.571 1.548 . . . . 0.0 107.701 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.18 170.59 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 1 C-N-CA 125.319 4.013 . . . . 0.0 114.954 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.215 0 C-N-CA 124.31 1.044 . . . . 0.0 112.464 -179.021 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 C4'-C3'-C2' 98.487 -4.213 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.049 -3.651 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-C3' 112.24 -2.173 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 2 C4'-C3'-C2' 98.065 -4.635 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 C4'-C3'-C2' 98.819 -3.881 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.826 -2.874 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.963 -2.737 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 109.659 -3.894 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.513 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.546 0 O4'-C1'-N19 111.025 2.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.434 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C3'-C2'-C1' 103.771 2.523 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.488 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 1 O5'-C5'-C4' 115.991 4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.434 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 98.892 -3.808 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.263 -3.437 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.31 -3.39 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.944 -3.756 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C4'-C3'-C2' 99.428 -3.272 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.126 -3.574 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 110.731 2.531 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.4 tpp . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.53 127.06 53.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 69.3 mt -126.01 150.99 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 120.875 0.369 . . . . 0.0 111.587 -166.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.44 157.05 44.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.302 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -123.91 132.37 53.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.445 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 40.9 mtm-85 -140.42 -173.21 3.61 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 122.752 0.421 . . . . 0.0 109.894 -172.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -131.92 161.85 32.07 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 m -54.29 115.24 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 121.598 0.713 . . . . 0.0 110.971 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.47 -18.81 10.86 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.219 -0.901 . . . . 0.0 113.074 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.03 169.06 18.28 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.573 1.186 . . . . 0.0 111.553 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -137.85 165.66 25.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.475 0.71 . . . . 0.0 110.179 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 40.8 mm -145.02 161.89 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 C-N-CA 125.481 1.512 . . . . 0.0 108.776 -175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -124.02 148.72 46.79 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.227 0.467 . . . . 0.0 111.804 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -141.71 132.73 26.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 124.51 1.124 . . . . 0.0 108.543 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.05 -144.69 27.27 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.43 15.55 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.302 0.641 . . . . 0.0 110.601 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -136.19 1.16 2.66 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.329 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.24 148.05 30.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.589 1.086 . . . . 0.0 112.051 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -138.87 152.94 48.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -130.95 150.07 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.2 m -145.11 144.67 31.05 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -99.64 93.48 3.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.35 -30.42 70.82 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 122.088 -0.383 . . . . 0.0 110.021 -172.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.95 -169.03 35.15 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -126.0 170.08 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -146.28 48.54 1.19 Allowed 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.828 0.851 . . . . 0.0 109.183 -174.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.71 -143.51 15.71 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 -169.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.462 ' HA ' ' NE2' ' C' ' 28' ' ' GLN . 13.2 tp60 -80.63 -6.96 59.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.267 1.033 . . . . 0.0 111.05 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 8.6 pt20 -81.97 160.47 23.32 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.3 149.23 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -118.09 124.82 48.99 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.387 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -128.35 140.9 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.95 159.03 14.38 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.969 -1.253 . . . . 0.0 109.969 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.68 147.41 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.44 91.7 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.22 158.84 63.31 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.876 0.87 . . . . 0.0 109.913 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.4 156.01 67.16 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 C-N-CA 122.86 2.373 . . . . 0.0 109.694 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.51 -0.82 13.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.451 0.643 . . . . 0.0 109.622 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.17 -8.31 23.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.804 1.242 . . . . 0.0 110.863 171.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.07 160.2 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.89 32.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.227 -0.296 . . . . 0.0 110.641 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.23 123.31 9.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.513 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 8.0 m-70 -156.26 167.29 30.9 Favored 'General case' 0 N--CA 1.458 -0.037 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -83.32 163.93 20.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -48.71 -39.23 23.86 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.93 -41.99 92.98 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.924 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.49 -36.18 14.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.24 -34.26 72.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.975 0.51 . . . . 0.0 111.659 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.32 -18.11 65.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 -21.58 26.51 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.793 0.724 . . . . 0.0 109.891 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.438 ' HA ' HD11 ' C' ' 55' ' ' LEU . 59.6 mt -77.45 -40.38 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -82.17 1.46 36.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.658 0.383 . . . . 0.0 111.158 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.22 -16.98 64.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.785 0.434 . . . . 0.0 112.034 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.88 30.65 0.09 OUTLIER Glycine 0 C--N 1.339 0.747 0 CA-C-O 119.479 -0.623 . . . . 0.0 113.171 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' C' ' 51' ' ' ILE . 1.8 pp -154.43 30.82 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -169.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -66.66 -1.82 4.18 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.452 -0.78 . . . . 0.0 111.299 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.88 72.58 12.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.6 1.16 . . . . 0.0 108.852 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -52.48 173.89 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 1 C-N-CA 125.33 4.02 . . . . 0.0 114.826 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.27 1.028 . . . . 0.0 112.285 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.835 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 C4'-C3'-C2' 98.449 -4.251 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.269 -3.431 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 112.322 -2.118 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 2 C4'-C3'-C2' 97.781 -4.919 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.025 -3.675 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.357 -3.343 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.437 3.237 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.425 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.924 3.724 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.917 -2.783 . 0.028 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C5'-C4'-C3' 111.157 -2.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.465 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 103.75 2.5 . 0.457 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.483 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O5'-C5'-C4' 115.435 3.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 111.533 -2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.018 -3.682 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.994 -3.706 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.422 -3.278 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.002 -3.698 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C4'-C3'-C2' 99.478 -3.222 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.366 -3.334 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.748 -2.952 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.39 129.14 50.87 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 71.1 mt -126.26 151.55 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 111.865 -166.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -144.84 156.65 44.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.412 1.085 . . . . 0.0 109.147 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.1 m -132.9 126.45 32.16 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -140.93 -169.22 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.72 0.808 . . . . 0.0 109.154 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -132.92 168.33 18.62 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 117.901 0.319 . . . . 0.0 110.727 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 m -58.01 127.4 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.187 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.33 -14.02 51.29 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -84.85 176.33 8.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.334 1.067 . . . . 0.0 111.635 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -139.12 167.58 21.74 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.8 mt -143.77 165.94 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 126.51 1.924 . . . . 0.0 107.533 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -137.22 154.47 50.17 Favored 'General case' 0 CA--C 1.527 0.086 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.9 137.03 24.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.442 1.097 . . . . 0.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -144.66 25.27 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -124.58 15.4 8.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.477 0.711 . . . . 0.0 110.517 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -136.06 1.4 2.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.869 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.2 147.4 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 119.365 0.984 . . . . 0.0 111.584 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -139.41 155.87 47.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.55 149.19 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -142.56 148.09 36.99 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.155 0.502 . . . . 0.0 110.314 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.91 87.71 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.91 -27.07 68.9 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.051 -0.405 . . . . 0.0 110.494 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.75 -168.13 36.76 Favored Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.888 -0.395 . . . . 0.0 112.261 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -129.14 165.89 27.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 117.389 0.595 . . . . 0.0 110.2 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -145.59 49.45 1.23 Allowed 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.02 -137.12 14.0 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 -170.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.58 -7.98 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 170.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.83 149.71 43.34 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.8 t -140.57 128.3 23.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.19 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -85.62 119.56 26.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.73 139.56 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.1 158.24 18.62 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.1 147.15 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.32 92.02 2.61 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.44 157.87 61.77 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.907 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.51 153.87 76.43 Favored 'Trans proline' 0 N--CA 1.444 -1.413 0 C-N-CA 122.573 2.182 . . . . 0.0 109.406 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.91 -0.67 4.52 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-O 121.636 0.731 . . . . 0.0 109.531 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.66 -11.6 26.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.631 1.573 . . . . 0.0 111.129 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -135.81 160.16 39.33 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 C-N-CA 123.813 0.845 . . . . 0.0 109.108 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.04 139.1 38.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.562 0.345 . . . . 0.0 110.171 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -142.97 123.08 9.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.508 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 6.0 m-70 -157.29 165.12 36.72 Favored 'General case' 0 C--N 1.338 0.105 0 O-C-N 122.139 -0.35 . . . . 0.0 110.969 -177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -76.13 163.21 27.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.54 -35.69 54.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -61.32 -44.04 97.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.443 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.81 -35.43 18.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -58.89 -32.33 69.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.09 0.556 . . . . 0.0 112.277 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.68 -18.36 63.55 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -86.06 -21.15 27.86 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 118.363 0.529 . . . . 0.0 109.823 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.58 -41.58 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -82.2 2.1 33.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.586 0.354 . . . . 0.0 111.105 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.0 -16.27 61.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.212 0.605 . . . . 0.0 112.426 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.17 30.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.318 -0.712 . . . . 0.0 113.118 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.09 -41.59 0.13 Allowed 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.375 1.088 . . . . 0.0 113.768 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m 37.92 36.89 0.11 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.547 1.139 . . . . 0.0 113.274 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 66.07 7.27 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 123.022 0.529 . . . . 0.0 110.853 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.55 149.83 12.8 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 124.141 3.227 . . . . 0.0 113.494 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.533 0.294 0 C-N-CA 124.842 1.257 . . . . 0.0 112.732 176.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 99.187 -3.513 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.742 -3.958 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.408 -3.292 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.163 -2.224 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 2 C4'-C3'-C2' 97.743 -4.957 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.836 3.636 . 0.399 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 99.839 -2.861 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.529 3.329 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.463 " H4'" ' OP1' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 111.55 3.35 OUTLIER-EPSILON 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.463 ' OP1' " H4'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.861 1 P-O3'-C3' 126.128 5.357 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.483 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C3'-C2'-C1' 103.723 2.47 . 0.497 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.489 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.315 0 O5'-C5'-C4' 115.396 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.483 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 C4'-C3'-C2' 98.807 -3.893 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.2 -3.5 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C4'-C3'-C2' 99.647 -3.053 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 98.891 -3.809 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.292 -3.408 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.504 -3.196 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.025 2.825 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.9 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.18 128.57 52.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.497 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 76.3 mt -122.39 148.41 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 CA-C-O 121.263 0.554 . . . . 0.0 112.222 -166.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.79 156.3 44.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.305 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 115.78 12.37 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -142.91 171.6 13.83 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.318 0.647 . . . . 0.0 109.427 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -115.42 171.75 7.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 21.3 m -58.49 127.68 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 111.014 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.4 -13.89 56.8 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.178 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -84.29 176.37 8.77 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.09 0.945 . . . . 0.0 110.66 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -141.15 169.33 17.81 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.3 164.37 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 C-N-CA 124.95 1.3 . . . . 0.0 108.066 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -133.22 153.33 51.64 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.84 136.25 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.191 0.996 . . . . 0.0 109.185 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.88 -144.66 22.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.49 15.53 8.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.415 0.686 . . . . 0.0 110.705 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -136.89 1.64 2.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.53 0.732 . . . . 0.0 112.301 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.87 148.37 31.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 119.39 0.996 . . . . 0.0 111.613 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -141.17 156.58 45.92 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mm -133.33 149.82 31.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -174.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.93 147.14 34.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -107.21 86.38 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.84 -24.11 67.44 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.196 -0.315 . . . . 0.0 111.677 -170.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.13 -169.48 36.02 Favored Glycine 0 C--N 1.34 0.786 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 176.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.31 170.39 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.9 m -143.25 49.77 1.43 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.372 0.669 . . . . 0.0 110.687 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.48 -102.27 1.98 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.63 0.25 13.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.81 162.98 22.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -139.72 148.33 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -120.36 122.75 41.46 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.13 141.21 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.18 -168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.15 159.71 14.45 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -134.69 147.14 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -138.14 91.76 2.59 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 157.61 62.6 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.617 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.88 154.7 73.69 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.76 2.307 . . . . 0.0 109.257 169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -69.38 -0.78 6.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.532 0.682 . . . . 0.0 109.631 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.22 -11.64 22.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.318 1.447 . . . . 0.0 110.507 171.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.46 160.36 40.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.811 0.844 . . . . 0.0 109.0 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.41 32.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.495 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.41 127.32 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.412 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 8.1 m-70 -156.6 165.9 34.95 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -79.24 160.01 27.06 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -48.34 -34.81 11.23 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -61.66 -42.35 98.79 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.707 -0.621 . . . . 0.0 111.451 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.23 -37.51 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.41 -32.76 70.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.65 0.38 . . . . 0.0 111.949 -176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -69.46 -18.33 63.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.044 -177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.94 -22.06 29.36 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.998 0.817 . . . . 0.0 109.664 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.29 -40.8 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.16 2.24 32.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.587 0.355 . . . . 0.0 111.718 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.31 58.19 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.83 31.24 0.1 OUTLIER Glycine 0 C--N 1.339 0.739 0 CA-C-O 119.414 -0.659 . . . . 0.0 112.975 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.39 -42.04 0.12 Allowed 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -172.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 40.46 27.45 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.472 1.109 . . . . 0.0 113.216 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.74 126.39 3.72 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.245 0.618 . . . . 0.0 109.402 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.18 173.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 124.589 3.526 . . . . 0.0 114.295 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.728 -178.539 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.419 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.345 -4.355 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 98.954 -3.746 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 110.331 2.131 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 2 O4'-C1'-N19 113.262 5.062 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 C4'-C3'-C2' 98.666 -4.034 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.18 2.98 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.853 -2.847 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 1 C5'-C4'-C3' 108.966 -4.356 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.508 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.507 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.86 2.622 . 0.474 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.497 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.507 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.556 -3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 98.9 -3.8 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.193 -3.507 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 99.393 -3.307 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.017 -3.683 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.152 -3.548 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.403 -3.297 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 110.932 2.732 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.57 117.12 18.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.45 148.26 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 122.841 0.457 . . . . 0.0 110.717 -171.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -142.0 156.52 45.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.351 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 m -128.8 133.61 48.1 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 40.1 mtm-85 -142.39 -174.16 4.05 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 110.178 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 87.0 tttt -138.45 157.12 46.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.11 124.07 3.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.391 0.615 . . . . 0.0 112.166 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.27 -20.6 13.87 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.752 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.78 172.8 12.03 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.559 1.179 . . . . 0.0 112.327 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -139.89 168.78 19.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.79 0.836 . . . . 0.0 110.219 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 41.4 mm -146.5 160.54 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 125.478 1.511 . . . . 0.0 108.637 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -121.95 147.53 45.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.305 0.574 . . . . 0.0 111.563 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.57 132.75 36.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -144.28 27.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.59 15.4 8.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.467 0.707 . . . . 0.0 110.447 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -136.84 2.61 2.63 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.458 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.06 148.35 30.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.246 0.93 . . . . 0.0 111.567 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -140.94 153.1 45.49 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -130.1 149.42 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 C-N-CA 124.358 1.063 . . . . 0.0 108.384 -176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.6 m -145.4 135.81 24.12 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HB ' HH21 ' A' ' 6' ' ' ARG . 2.5 tp -89.27 96.6 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 2.1 mt -69.39 -26.4 64.62 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.904 -0.497 . . . . 0.0 109.906 -175.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.21 -168.69 33.62 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 175.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.67 170.0 18.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 117.157 0.479 . . . . 0.0 110.006 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 m -143.26 49.85 1.42 Allowed 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.646 0.778 . . . . 0.0 109.761 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 -128.62 9.4 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 HE22 ' CG2' ' C' ' 25' ' ' VAL . 14.7 tp60 -93.98 -2.36 53.23 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -72.0 163.16 28.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 167.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.03 146.2 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -123.36 124.47 43.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.4 mt -133.14 149.81 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.803 -168.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.54 158.14 19.0 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' C' ' 1' ' ' MET . 71.1 mt -135.08 147.48 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.21 93.68 2.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 156.13 64.05 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.8 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.12 158.06 59.24 Favored 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 123.622 2.881 . . . . 0.0 111.207 172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.2 mmtp -64.87 -1.91 2.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.427 172.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.71 -11.57 54.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.532 1.133 . . . . 0.0 110.919 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.4 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 C-N-CA 123.724 0.81 . . . . 0.0 109.099 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.27 145.89 30.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.31 127.32 11.61 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -156.56 168.78 26.32 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -82.96 160.8 21.96 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -47.63 -34.68 8.27 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -64.55 -33.32 75.64 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.861 -0.524 . . . . 0.0 112.188 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -37.44 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' ILE . 80.4 t80 -57.77 -33.22 68.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.629 0.372 . . . . 0.0 111.734 -175.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -66.54 -16.89 64.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.634 0.374 . . . . 0.0 111.885 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -86.83 -30.6 21.37 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.543 ' HB ' HE21 ' A' ' 52' ' ' GLN . 12.2 mm -59.93 -44.97 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 C-N-CA 123.15 0.58 . . . . 0.0 109.586 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.543 HE21 ' HB ' ' A' ' 51' ' ' ILE . 48.7 mm-40 -83.26 1.98 38.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.231 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.8 -13.31 57.86 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 122.294 -0.254 . . . . 0.0 110.936 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.89 36.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.988 -0.896 . . . . 0.0 113.39 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' ILE . 51.4 mt -120.62 -8.46 9.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.675 1.237 . . . . 0.0 113.323 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.425 ' CG2' HE22 ' A' ' 52' ' ' GLN . 46.1 p -74.51 0.13 15.75 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.192 0.451 . . . . 0.0 112.13 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.04 73.81 10.13 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 122.972 0.509 . . . . 0.0 110.363 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -52.77 176.23 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.733 3.622 . . . . 0.0 114.06 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 CA--C 1.53 0.178 0 C-N-CA 123.966 0.907 . . . . 0.0 112.39 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 98.846 -3.854 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 C4'-C3'-C2' 98.276 -4.424 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.182 -3.518 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 110.497 2.297 . 0.554 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 2 O4'-C1'-N19 113.581 5.381 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.976 3.776 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.418 -3.282 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.867 3.667 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 O4'-C1'-N19 111.202 3.002 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.401 ' H22' ' CE1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 111.059 2.859 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . 0.414 ' C4 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.215 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.481 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C3'-C2'-C1' 103.442 2.157 . 0.482 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.446 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O5'-C5'-C4' 114.787 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.481 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C5'-C4'-C3' 110.919 -3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.845 -3.855 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 98.941 -3.759 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.41 -3.29 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.958 -3.742 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.03 -3.67 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.457 -3.243 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 O4'-C1'-N19 111.079 2.879 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.1 tpp . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -131.28 114.38 14.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.95 146.72 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 122.748 0.419 . . . . 0.0 110.213 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.94 156.72 44.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.838 1.255 . . . . 0.0 108.692 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.3 m -129.15 140.45 51.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -143.24 -176.96 5.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.629 1.172 . . . . 0.0 109.289 -172.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.19 166.15 25.46 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 169.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.3 m -55.74 120.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.27 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.99 -17.07 25.06 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.879 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -84.03 176.87 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.207 1.004 . . . . 0.0 111.223 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -142.28 167.18 22.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.3 mm -138.4 160.85 31.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.747 2.019 . . . . 0.0 107.504 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -134.69 151.53 51.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.619 -0.676 . . . . 0.0 111.767 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.4 mt -141.66 139.28 31.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 123.933 0.893 . . . . 0.0 109.021 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.27 25.89 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -124.53 15.09 8.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.493 0.717 . . . . 0.0 109.766 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.4 2.73 1.88 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.376 0.67 . . . . 0.0 112.512 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.19 146.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 119.407 1.003 . . . . 0.0 111.368 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -141.36 154.66 45.79 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.336 1.054 . . . . 0.0 108.231 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mm -133.52 148.96 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.034 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -146.15 127.72 15.12 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-O 120.666 0.269 . . . . 0.0 110.848 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -81.9 99.91 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.4 mt -73.29 -26.61 61.15 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.189 -0.319 . . . . 0.0 110.624 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.99 -173.67 35.25 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 175.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.468 ' CG2' HE22 ' A' ' 28' ' ' GLN . 1.8 m -124.44 170.45 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -143.98 45.5 1.46 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 124.433 1.093 . . . . 0.0 108.261 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.89 -145.9 16.26 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -7.69 52.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 117.791 0.795 . . . . 0.0 111.034 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 5.8 pt20 -83.45 156.02 23.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 169.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 51.9 t -137.73 149.69 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.159 0.983 . . . . 0.0 108.527 -170.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -128.38 126.03 39.84 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mt -136.41 148.11 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.025 -168.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.62 161.58 12.66 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -134.15 145.49 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.82 94.61 2.85 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 157.48 59.81 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.107 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.59 160.5 49.52 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 124.018 3.145 . . . . 0.0 111.196 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' C4 ' ' B' ' 50' ' ' ' G' . 34.3 mmtp -67.31 -1.18 4.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.501 172.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.5 -12.64 58.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.027 0.931 . . . . 0.0 110.58 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.02 160.55 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.641 0.776 . . . . 0.0 110.086 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.45 144.39 36.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.045 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -143.24 121.42 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.086 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.401 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 9.6 m-70 -155.86 163.95 39.14 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.019 0.438 . . . . 0.0 111.725 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -69.02 157.16 37.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 172.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.13 -29.28 57.39 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 111.493 0.182 . . . . 0.0 111.493 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -67.04 -45.87 76.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.439 -0.315 . . . . 0.0 111.197 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.67 -35.93 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.21 -29.49 67.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.687 0.795 . . . . 0.0 112.567 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -75.01 -18.47 60.35 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -83.9 -21.48 31.9 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.47 -56.73 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -67.01 1.72 1.82 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -13.93 59.23 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.966 0.506 . . . . 0.0 111.556 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.19 16.28 0.05 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.826 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -163.22 178.58 8.09 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.659 1.23 . . . . 0.0 113.069 -168.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -150.06 1.64 0.48 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.915 0.886 . . . . 0.0 110.947 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.97 82.8 4.4 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 122.966 0.507 . . . . 0.0 110.305 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.02 -169.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 125.201 3.934 . . . . 0.0 116.116 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.45 -0.436 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.522 -170.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 C4'-C3'-C2' 99.323 -3.377 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 1 C4'-C3'-C2' 98.41 -4.29 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.389 -3.311 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O4'-C1'-N19 110.094 1.894 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 2 O4'-C1'-N19 112.864 4.664 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 98.925 -3.775 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.934 -2.766 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 100.002 -2.698 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 1 C5'-C4'-C3' 108.554 -4.631 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C4'-C3'-C2' 99.743 -2.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.449 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.622 2.876 0 O4'-C1'-N19 111.818 3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.594 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C4'-C3'-C2' 98.377 -4.323 . 0.481 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.543 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.518 3.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.594 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.854 -3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C4'-C3'-C2' 98.81 -3.89 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.005 -3.695 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.288 -3.412 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 98.887 -3.813 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.315 -3.385 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C4'-C3'-C2' 99.139 -3.561 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.86 -2.84 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.43 117.66 20.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD11 " H5'" ' B' ' 52' ' ' ' A' . 3.7 mp -102.85 144.34 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.278 0.561 . . . . 0.0 110.254 -172.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -141.94 156.68 45.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.237 1.415 . . . . 0.0 108.035 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -132.08 142.72 49.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -144.97 -178.61 6.13 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 124.501 1.12 . . . . 0.0 109.891 -172.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 39.1 ttpt -143.64 157.55 44.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 173.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.7 m -54.1 122.96 4.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.838 -172.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.11 3.85 31.33 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.169 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -111.4 177.4 4.67 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.606 1.203 . . . . 0.0 111.09 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 m -143.24 170.98 14.73 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -141.34 160.92 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 126.202 1.801 . . . . 0.0 107.315 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -130.04 152.09 49.87 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.649 0.659 . . . . 0.0 112.227 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -141.79 136.51 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.46 -143.86 21.64 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.8 15.24 8.65 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.596 0.758 . . . . 0.0 110.418 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -136.58 1.94 2.64 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.489 0.716 . . . . 0.0 112.206 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.26 146.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 CA-C-N 119.391 0.996 . . . . 0.0 111.626 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -141.16 154.69 45.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.31 149.55 32.49 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.053 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -142.98 145.25 32.78 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.533 -176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.94 90.6 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.6 mt -66.76 -27.2 67.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -173.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.37 -167.93 37.13 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 170.33 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 117.147 0.474 . . . . 0.0 110.198 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -143.13 49.01 1.46 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.193 0.597 . . . . 0.0 110.039 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -102.82 2.03 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.86 3.39 15.44 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 171.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.56 162.76 19.7 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.45 129.27 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -88.86 119.37 29.3 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -135.63 139.38 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.01 -174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.44 160.08 13.59 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.3 mt -134.77 147.25 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -140.98 93.13 2.56 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -174.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.75 63.33 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.608 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.82 158.41 57.95 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 123.952 3.101 . . . . 0.0 111.017 171.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 26.0 mmtp -65.42 -1.69 2.68 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.418 172.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.81 -11.51 55.53 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.559 1.144 . . . . 0.0 110.347 174.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.96 160.46 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.472 0.709 . . . . 0.0 109.167 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.56 145.87 32.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.213 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -143.59 125.41 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 13.8 m-70 -156.21 166.19 34.18 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -70.29 156.84 38.72 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -54.91 -24.18 22.32 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -80.03 -27.78 39.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.414 0.552 . . . . 0.0 112.025 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.54 -33.81 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' A' ' 51' ' ' ILE . 90.4 t80 -57.64 -31.29 66.13 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 123.57 0.748 . . . . 0.0 112.535 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.49 -17.25 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.308 -0.245 . . . . 0.0 111.341 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.25 -21.33 27.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.1 mm -71.34 -53.36 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -74.11 2.03 9.82 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.361 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.93 -14.65 63.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.984 0.514 . . . . 0.0 111.694 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 23.84 0.07 OUTLIER Glycine 0 CA--C 1.527 0.83 0 CA-C-O 119.528 -0.596 . . . . 0.0 113.238 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -161.81 -165.44 1.26 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.101 0.951 . . . . 0.0 112.268 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 m -137.73 -6.68 1.69 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.763 0.425 . . . . 0.0 111.278 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.32 116.92 4.05 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.17 168.11 0.13 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.631 3.554 . . . . 0.0 115.483 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.755 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.637 -4.063 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.539 -3.161 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 111.895 -2.404 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.488 ' P ' ' HA2' ' C' ' 27' ' ' GLY . . . . . . . . 0 O4'--C4' 1.417 -2.995 2 O4'-C1'-N19 112.43 4.23 . 0.634 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.184 -3.516 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 110.969 2.769 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.859 -2.841 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.4 ' C8 ' H5'' ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C5'-C4'-C3' 109.053 -4.298 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.454 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 110.904 2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C5'-C4'-C3' 111.369 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.558 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C3'-C2'-C1' 103.475 2.194 . 0.5 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.478 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.279 0 O5'-C5'-C4' 114.661 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.558 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 110.291 -3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 C4'-C3'-C2' 98.424 -4.276 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.895 -3.805 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.552 -3.148 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.907 -3.793 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.554 -3.146 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.109 -3.591 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 100.183 -2.517 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.438 ' HG2' HD11 ' C' ' 3' ' ' ILE . 36.5 tpp . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.7 115.07 15.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 174.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' C' ' 1' ' ' MET . 5.0 mp -106.75 152.04 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-O 121.298 0.571 . . . . 0.0 110.493 -171.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.82 156.87 44.63 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.744 1.217 . . . . 0.0 107.874 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -128.07 131.98 49.06 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -141.21 -173.41 3.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.25 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -134.62 168.33 19.18 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 123.272 0.358 . . . . 0.0 110.393 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.35 121.15 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.625 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.07 -16.28 20.47 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.817 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.58 169.46 17.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.605 1.203 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 61.6 m -140.82 159.21 42.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.31 0.644 . . . . 0.0 110.693 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -142.35 163.16 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 125.494 1.518 . . . . 0.0 108.227 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -127.97 151.59 48.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.942 -0.474 . . . . 0.0 112.105 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.03 138.06 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.126 0.97 . . . . 0.0 108.615 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -143.18 32.06 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.77 15.18 8.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.262 0.625 . . . . 0.0 109.89 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -142.08 4.11 1.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.168 0.587 . . . . 0.0 112.433 -174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.51 147.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 CA-C-N 119.482 1.037 . . . . 0.0 111.442 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 82.1 m -140.37 154.09 46.61 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.96 149.63 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.93 0.892 . . . . 0.0 108.794 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -144.97 140.96 28.57 Favored 'General case' 0 N--CA 1.458 -0.041 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -96.79 93.93 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.87 -25.99 65.8 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.345 -0.222 . . . . 0.0 110.969 -173.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -169.44 33.71 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.47 170.55 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 6.0 t -138.61 37.08 2.22 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . 0.488 ' HA2' ' P ' ' B' ' 44' ' ' ' U' . . . 111.64 -143.49 17.36 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 107.471 -2.252 . . . . 0.0 107.471 -170.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.45 -15.51 63.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 117.626 0.713 . . . . 0.0 111.596 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 12.8 pt20 -79.47 151.26 30.92 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.845 0.748 . . . . 0.0 109.426 170.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.07 149.23 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 -171.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -124.36 125.41 44.28 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.68 148.73 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.603 -168.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.52 158.03 18.06 Favored Glycine 0 C--N 1.334 0.434 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.9 147.4 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -137.54 94.36 2.91 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.69 156.58 62.89 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.347 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.6 160.08 51.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.035 3.156 . . . . 0.0 111.478 171.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -66.37 -1.07 3.07 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.283 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.55 -12.06 55.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.088 0.955 . . . . 0.0 110.848 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.31 160.33 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.421 0.688 . . . . 0.0 109.983 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.0 143.4 32.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.61 124.16 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.454 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.9 m-70 -156.44 164.18 38.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -79.22 161.39 26.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -49.55 -39.27 34.17 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.34 -32.36 72.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.224 -0.417 . . . . 0.0 111.96 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.55 -36.7 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -58.7 -32.05 68.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.985 0.514 . . . . 0.0 112.094 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.15 -18.56 63.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -83.45 -21.25 32.96 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.664 0.666 . . . . 0.0 109.597 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt -80.38 -53.04 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.43 2.1 2.57 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 122.225 -0.297 . . . . 0.0 111.619 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.14 -14.48 61.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.53 18.73 0.06 OUTLIER Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.517 -0.602 . . . . 0.0 113.927 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -162.74 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.239 1.02 . . . . 0.0 112.81 -168.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.9 p -144.99 9.27 1.28 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 124.495 1.118 . . . . 0.0 110.631 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.51 120.11 3.41 Favored Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.95 -38.39 31.16 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.985 3.123 . . . . 0.0 113.666 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.453 -0.302 0 O-C-N 123.143 0.277 . . . . 0.0 111.356 -175.729 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.787 -2.913 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 1 C4'-C3'-C2' 98.476 -4.224 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.188 -3.512 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.416 2.216 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 97.567 -5.133 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.94 3.74 . 0.39 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.701 -2.999 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 110.779 2.579 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.457 " H2'" ' C8 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.8 2 O4'-C1'-N19 112.512 4.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.269 3.069 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.451 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.546 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 C4'-C3'-C2' 98.678 -4.022 . 0.513 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.546 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O5'-C5'-C4' 116.329 4.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.523 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 98.822 -3.878 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.031 -3.669 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.917 -2.783 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.082 -3.618 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.373 -3.327 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.179 -3.521 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 111.053 2.853 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 tpp . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.38 123.61 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.01 146.95 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.426 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 mt -146.67 156.76 43.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.859 1.264 . . . . 0.0 108.467 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 p -115.2 150.22 36.46 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 170.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 5.1 tpm_? -145.79 127.59 15.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.564 -177.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -74.07 151.53 40.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.42 124.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.432 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.67 6.63 35.08 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.624 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -116.17 -179.82 3.78 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.577 1.189 . . . . 0.0 110.63 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -135.57 168.7 18.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.8 mm -137.92 160.57 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 126.949 2.1 . . . . 0.0 107.257 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -133.45 153.85 51.27 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.193 0.906 . . . . 0.0 112.098 -174.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.63 135.07 26.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.75 -144.5 26.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.74 15.69 8.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.387 0.675 . . . . 0.0 110.851 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -135.22 0.63 2.85 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.263 0.625 . . . . 0.0 112.456 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.38 146.3 32.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.116 0 CA-C-N 119.373 0.988 . . . . 0.0 111.307 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 m -141.23 155.36 46.04 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -133.93 149.34 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -142.61 145.09 33.16 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.636 0.255 . . . . 0.0 110.316 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.44 87.91 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -66.27 -21.46 66.28 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.35 -0.219 . . . . 0.0 111.2 -172.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.32 -168.99 33.74 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.24 170.57 18.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 122.594 0.357 . . . . 0.0 110.188 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -143.23 49.55 1.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 122.955 0.502 . . . . 0.0 110.98 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.47 -102.35 1.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 108.282 -1.927 . . . . 0.0 108.282 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -115.28 3.07 14.17 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.75 163.07 16.68 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.75 149.0 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -123.82 121.26 34.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -138.28 145.6 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.05 -168.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.73 161.98 14.07 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -134.81 147.23 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -139.89 91.77 2.5 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -173.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.57 63.73 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.715 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.75 160.58 48.99 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.865 3.043 . . . . 0.0 111.382 171.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.12 -0.93 5.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.274 172.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.52 -12.13 56.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.241 1.016 . . . . 0.0 110.465 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -139.09 160.36 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.3 0.64 . . . . 0.0 110.241 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.56 145.26 35.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.61 122.36 9.76 Favored 'Isoleucine or valine' 0 C--N 1.338 0.108 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' H22' ' D' ' 49' ' ' ' G' . 11.0 m-70 -155.97 168.69 26.45 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 111.277 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtp-105 -71.17 157.78 37.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -56.35 -23.3 36.52 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 122.155 0.182 . . . . 0.0 110.879 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -78.42 -28.39 46.79 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.018 0.372 . . . . 0.0 111.71 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.35 -34.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.52 -32.44 67.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.165 0.986 . . . . 0.0 112.064 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -70.54 -17.7 62.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -82.68 -21.69 34.82 Favored 'General case' 0 C--N 1.339 0.113 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.7 -41.06 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -79.64 1.91 24.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.917 -0.49 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -10.6 59.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.055 0.542 . . . . 0.0 111.399 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.64 27.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.421 -0.655 . . . . 0.0 113.443 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -135.4 -166.83 1.91 Allowed 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.468 1.134 . . . . 0.0 110.985 -173.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 95.13 -7.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.694 2.398 . . . . 0.0 110.741 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.67 70.88 6.66 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.287 0.635 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.31 174.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.727 3.618 . . . . 0.0 114.788 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.89 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.84 -2.86 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 98.314 -4.386 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.166 -3.534 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.515 -2.657 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 2 C4'-C3'-C2' 98.022 -4.678 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 98.736 -3.964 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.679 -3.021 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.675 -3.025 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.814 3 O4'-C1'-N19 112.854 4.654 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 110.975 2.775 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 O4'-C1'-N19 111.234 3.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.467 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C3'-C2'-C1' 103.581 2.312 . 0.491 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 0 O5'-C5'-C4' 115.549 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.493 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.132 -3.568 . 0.26 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.443 -3.257 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.308 -3.392 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 98.779 -3.921 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 99.442 -3.258 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.806 -2.894 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 tpp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -117.12 126.62 53.1 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.488 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 68.2 mt -125.69 152.96 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-O 121.089 0.471 . . . . 0.0 111.698 -166.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.91 158.26 43.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.629 -1.168 . . . . 0.0 109.326 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -126.3 123.32 37.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 173.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -132.55 -175.83 3.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.515 0.326 . . . . 0.0 110.185 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -131.61 161.3 33.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.495 0.188 . . . . 0.0 110.664 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 26.3 m -56.6 115.38 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.389 0.614 . . . . 0.0 110.826 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.5 -18.65 9.33 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.97 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 170.05 15.38 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.733 1.266 . . . . 0.0 111.617 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -141.71 156.5 45.61 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.579 0.752 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -140.33 160.89 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 125.666 1.587 . . . . 0.0 108.619 -173.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -127.28 149.93 49.8 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 122.169 -0.332 . . . . 0.0 111.576 -175.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.9 133.81 31.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.285 1.034 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -144.92 32.37 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -124.58 15.7 8.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.351 0.66 . . . . 0.0 110.625 176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -137.17 2.47 2.54 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.793 -0.622 . . . . 0.0 112.269 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.9 147.77 30.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-N 119.63 1.104 . . . . 0.0 111.53 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -141.13 154.83 46.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.86 1.264 . . . . 0.0 107.898 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -133.95 149.59 30.67 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.126 0 C-N-CA 124.085 0.954 . . . . 0.0 108.923 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 51.4 m -145.72 134.07 21.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -89.82 99.17 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.07 -25.83 61.05 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 122.163 -0.336 . . . . 0.0 110.372 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.41 -171.0 34.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 174.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.28 170.65 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 CA-C-O 121.025 0.44 . . . . 0.0 110.214 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -147.7 44.79 1.11 Allowed 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 124.134 0.974 . . . . 0.0 109.263 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.33 -142.21 15.48 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.598 -2.201 . . . . 0.0 107.598 -172.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.46 4.09 9.84 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -101.22 153.52 19.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.13 123.71 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -172.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -93.73 119.96 33.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 69.9 mt -129.56 140.12 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.36 158.53 14.73 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.0 mt -134.62 146.25 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -138.27 91.72 2.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -173.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.26 157.0 60.85 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.7 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.84 155.85 68.77 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.707 2.272 . . . . 0.0 109.215 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -70.95 -0.65 9.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.715 0.769 . . . . 0.0 109.096 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.1 -12.27 37.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.578 1.551 . . . . 0.0 110.725 171.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.08 160.3 38.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 123.945 0.898 . . . . 0.0 108.907 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.28 144.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.57 127.37 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -155.96 170.05 23.04 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 122.071 -0.393 . . . . 0.0 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -74.48 157.41 35.62 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -53.74 -39.38 65.25 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.632 0.196 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pm0 -70.16 -3.76 18.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.48 -40.59 4.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 170.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.4 -32.99 70.67 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.973 0.909 . . . . 0.0 111.736 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.41 -18.32 63.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -85.45 -21.88 28.53 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.592 0.633 . . . . 0.0 109.629 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.3 mt -79.11 -48.27 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -73.99 2.05 9.54 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -12.2 53.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.01 0.524 . . . . 0.0 112.275 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.92 19.49 0.05 OUTLIER Glycine 0 CA--C 1.528 0.871 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.982 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.21 -168.04 1.94 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.791 0.795 . . . . 0.0 111.378 -169.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -143.83 2.77 1.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 110.671 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 120.03 3.76 Favored Pre-proline 0 N--CA 1.454 -0.262 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -45.69 -34.54 11.74 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.561 3.507 . . . . 0.0 114.256 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.449 -0.492 0 C-N-CA 122.571 0.349 . . . . 0.0 110.061 -174.245 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.137 -3.563 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.456 -4.244 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.338 -3.362 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C5'-C4'-C3' 112.044 -2.304 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 2 C4'-C3'-C2' 97.775 -4.925 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.337 -3.363 . 0.422 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.241 3.041 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 2 C3'-C2'-C1' 105.301 4.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.465 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.618 2.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.424 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.623 2.965 0 C5'-C4'-C3' 110.82 -3.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.426 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 103.714 2.461 . 0.454 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.488 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 115.651 3.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.426 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C5'-C4'-C3' 111.391 -2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 98.954 -3.746 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.108 -3.592 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.82 -2.88 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.93 -3.77 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.492 -3.208 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.031 -3.669 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.809 2.609 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.572 -0.158 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.47 127.83 53.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.1 mt -122.37 144.1 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.184 0.516 . . . . 0.0 111.081 -167.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.18 156.71 44.83 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.069 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -131.09 141.4 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.7 mmp_? -144.84 176.79 9.2 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.942 0.897 . . . . 0.0 110.133 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 31.2 mttp -128.28 156.16 43.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 174.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 35.5 m -55.11 117.9 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.413 0.625 . . . . 0.0 111.028 -175.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.9 -16.89 18.11 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.704 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -85.55 176.91 7.94 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.256 1.028 . . . . 0.0 111.168 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -141.46 167.8 21.29 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -139.43 160.55 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.844 2.057 . . . . 0.0 107.4 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.0 151.49 51.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.633 0.652 . . . . 0.0 112.422 -174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.69 133.03 23.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.7 16.01 8.74 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.556 0.743 . . . . 0.0 110.299 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.09 0.78 2.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.314 0.645 . . . . 0.0 112.258 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.87 147.1 29.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-N 119.321 0.964 . . . . 0.0 111.446 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -141.26 155.59 45.99 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mm -133.09 148.66 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -146.25 129.03 16.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.685 0.221 . . . . 0.0 110.673 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' ILE . 1.6 tp -81.5 95.42 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.77 -31.79 72.66 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.809 -0.557 . . . . 0.0 110.202 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 161.26 -170.85 37.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 174.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -126.16 170.23 16.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 117.323 0.561 . . . . 0.0 110.517 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -142.29 44.19 1.65 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.505 1.122 . . . . 0.0 108.231 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -143.31 15.63 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 -171.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.11 5.54 9.85 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 117.245 0.522 . . . . 0.0 111.167 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -102.9 159.0 15.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 169.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.7 t -139.91 149.98 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.215 0.606 . . . . 0.0 110.252 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -120.13 126.22 50.17 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -135.84 138.46 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.31 160.64 13.42 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.46 147.27 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -138.08 92.73 2.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -173.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.93 157.72 60.56 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 123.212 0.605 . . . . 0.0 110.586 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 37.8 Cg_endo -68.12 160.09 50.26 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.691 2.927 . . . . 0.0 111.865 171.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HE2' ' C4 ' ' D' ' 50' ' ' ' G' . 34.5 mmtp -68.39 -0.4 4.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.197 172.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 19.2 t70 -66.29 -14.09 61.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.223 1.009 . . . . 0.0 109.957 172.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.44 160.52 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.047 0.939 . . . . 0.0 109.51 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.06 148.17 37.5 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -144.84 115.08 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.051 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -153.96 167.02 31.13 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.388 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HA ' HD13 ' C' ' 12' ' ' ILE . 70.8 ttt-85 -70.17 155.72 40.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.27 -29.11 46.0 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -72.08 -29.07 63.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.83 -32.11 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.5 t80 -58.21 -30.72 66.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.34 0.656 . . . . 0.0 112.112 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.52 -17.81 63.62 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -86.13 -21.64 27.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG12 ' HA ' ' A' ' 48' ' ' TYR . 10.6 mm -71.64 -46.72 61.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -82.16 2.14 32.97 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.536 0.734 . . . . 0.0 111.315 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.6 64.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.17 35.72 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.22 -0.767 . . . . 0.0 113.073 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -154.76 26.14 0.44 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -169.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 p -67.16 -4.42 10.19 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.207 0.912 . . . . 0.0 110.83 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.38 72.5 8.35 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 125.129 1.372 . . . . 0.0 108.48 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.72 -40.24 31.13 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 124.386 3.391 . . . . 0.0 113.597 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 122.904 0.482 . . . . 0.0 110.633 -177.103 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 99.464 -3.236 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.769 -3.931 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.922 -3.778 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 110.281 2.081 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 2 C4'-C3'-C2' 98.274 -4.426 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.965 3.765 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C4'-C3'-C2' 99.525 -3.175 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 98.994 -3.706 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.327 3.127 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.456 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 110.833 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.446 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C4'-C3'-C2' 100.297 -2.403 . 0.473 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.469 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O5'-C5'-C4' 115.482 3.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.423 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C5'-C4'-C3' 110.978 -3.015 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.009 -3.691 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.048 -3.652 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.445 -3.255 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.968 -3.732 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C4'-C3'-C2' 99.262 -3.438 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.295 -3.405 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C4'-C3'-C2' 100.013 -2.687 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.412 HD13 ' C ' ' C' ' 2' ' ' LEU . 2.8 tm? -113.69 125.49 54.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.507 ' CD1' " H4'" ' D' ' 52' ' ' ' A' . 64.4 mt -122.01 146.55 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-O 121.115 0.483 . . . . 0.0 110.426 -169.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.47 156.56 46.31 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -126.77 129.41 48.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.549 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.0 mtm-85 -140.56 -179.26 5.93 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.829 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -129.57 155.98 44.92 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.093 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -56.1 117.03 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 121.439 0.637 . . . . 0.0 111.222 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.45 -18.5 8.76 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.41 -0.814 . . . . 0.0 113.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.96 172.45 13.46 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.406 1.103 . . . . 0.0 112.318 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -138.56 164.79 28.53 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.749 0.819 . . . . 0.0 110.673 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.549 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 37.8 mm -142.37 161.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 125.919 1.688 . . . . 0.0 108.96 -175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -121.39 148.73 44.0 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 111.801 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -140.46 133.57 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 108.377 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.56 -142.11 30.22 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -125.0 15.12 8.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.181 0.592 . . . . 0.0 110.123 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -140.58 1.85 1.77 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.93 148.41 30.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 119.25 0.932 . . . . 0.0 111.807 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -138.65 152.58 48.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -130.54 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -175.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.8 m -144.85 147.11 32.44 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.71 0.29 . . . . 0.0 110.554 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.415 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -103.13 94.37 3.17 Favored 'Isoleucine or valine' 0 C--N 1.338 0.081 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.7 -27.89 66.36 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.344 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.75 -165.33 34.55 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.18 169.85 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 117.107 0.454 . . . . 0.0 110.07 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -141.44 43.14 1.76 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.54 -142.93 15.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -170.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.5 5.5 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 117.694 0.747 . . . . 0.0 111.859 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.4 pt20 -102.1 157.82 16.61 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 169.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.07 147.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 122.821 0.448 . . . . 0.0 110.08 -168.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -113.62 118.16 33.63 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.591 1.156 . . . . 0.0 108.282 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -129.38 144.48 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.2 159.8 18.81 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -136.78 147.77 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -137.0 95.18 3.06 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.64 158.04 60.81 Favored Pre-proline 0 N--CA 1.454 -0.238 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.086 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.87 160.08 50.99 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.987 3.125 . . . . 0.0 112.155 172.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.21 -3.63 14.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.466 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.52 -9.86 46.33 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.089 0.956 . . . . 0.0 110.606 172.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m -139.61 160.41 27.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.195 0.598 . . . . 0.0 109.858 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.91 144.43 35.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.451 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -143.35 124.97 11.48 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.456 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 6.9 m-70 -156.36 166.94 31.96 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -82.49 161.92 22.21 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -49.43 -33.55 14.31 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -64.78 -40.46 95.3 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.832 0.742 . . . . 0.0 111.504 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.74 -37.43 14.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -59.04 -30.11 67.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.148 0.579 . . . . 0.0 112.363 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.42 -17.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -85.31 -21.44 28.96 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 118.721 0.692 . . . . 0.0 109.354 175.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.15 -57.04 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -67.54 0.69 2.86 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 -10.89 54.91 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.94 0.496 . . . . 0.0 111.915 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.56 13.54 0.03 OUTLIER Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.082 -0.843 . . . . 0.0 113.518 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -162.15 -176.2 5.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.373 1.087 . . . . 0.0 111.214 -169.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -147.98 5.85 0.77 Allowed 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.174 -0.329 . . . . 0.0 111.163 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.53 123.61 4.63 Favored Pre-proline 0 C--O 1.232 0.174 0 O-C-N 122.028 -0.42 . . . . 0.0 110.104 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.14 176.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.686 3.591 . . . . 0.0 113.823 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 124.033 0.933 . . . . 0.0 112.429 -178.411 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 C4'-C3'-C2' 98.331 -4.369 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.053 -3.647 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 110.692 2.492 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 2 C4'-C3'-C2' 98.319 -4.381 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 98.884 -3.816 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.343 -3.357 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.685 -3.015 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 110.616 -3.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.493 H5'' ' C4 ' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.419 ' C4 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.456 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C3'-C2'-C1' 103.725 2.473 . 0.496 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.507 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O5'-C5'-C4' 115.392 3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.045 -3.655 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C4'-C3'-C2' 99.07 -3.63 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.262 -3.438 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 98.989 -3.711 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.234 -3.466 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.263 -3.437 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 100.059 -2.641 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -130.22 114.91 16.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 174.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.28 147.34 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.206 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.4 mt -144.94 156.71 44.12 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.833 1.253 . . . . 0.0 109.117 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -124.27 140.05 53.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -138.57 179.89 6.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.963 0.905 . . . . 0.0 109.125 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 83.5 tttt -145.14 155.34 43.24 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 172.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.0 m -53.79 126.78 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.602 -173.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.72 7.6 44.53 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-N 115.412 -0.813 . . . . 0.0 113.348 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -120.15 179.75 4.19 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.411 1.106 . . . . 0.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 m -137.52 168.2 20.13 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -139.79 160.4 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 126.597 1.959 . . . . 0.0 107.293 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -132.56 150.12 52.21 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.805 0.729 . . . . 0.0 112.912 -172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -142.62 135.89 26.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 124.81 1.244 . . . . 0.0 108.969 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.81 -146.01 23.33 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.47 15.26 8.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.527 0.731 . . . . 0.0 110.025 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -136.15 1.56 2.71 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.895 0.878 . . . . 0.0 112.343 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.86 145.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 119.322 0.965 . . . . 0.0 111.541 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.4 m -140.98 155.41 46.22 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.431 1.092 . . . . 0.0 108.129 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 mm -131.12 149.12 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 m -144.02 125.63 15.0 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.446 0.165 . . . . 0.0 110.696 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -84.67 92.51 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.5 mt -68.56 -27.52 66.14 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.301 -0.25 . . . . 0.0 110.404 -171.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.72 -171.41 36.1 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.5 170.82 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.491 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.3 m -142.18 44.7 1.66 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.306 1.042 . . . . 0.0 108.427 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.79 -144.04 15.77 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 108.874 -1.691 . . . . 0.0 108.874 -172.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.42 5.4 4.68 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 117.334 0.567 . . . . 0.0 111.393 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.0 pt20 -102.3 154.42 19.07 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.08 150.22 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 123.975 0.91 . . . . 0.0 109.11 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -128.82 124.03 34.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.402 0.62 . . . . 0.0 109.425 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.3 mt -135.6 148.19 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.64 -168.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.59 162.48 12.36 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.8 mt -134.37 147.02 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -139.1 93.05 2.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.37 155.87 67.44 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.81 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB2' ' H ' ' A' ' 39' ' ' ASP . 41.0 Cg_endo -69.06 160.64 49.07 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 123.681 2.921 . . . . 0.0 111.331 172.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.5 -0.53 5.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.43 172.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 18.2 t70 -66.54 -13.21 60.66 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.197 0.999 . . . . 0.0 110.442 173.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.47 160.47 28.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 123.718 0.807 . . . . 0.0 109.893 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.08 148.06 32.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.648 0.379 . . . . 0.0 110.314 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -143.39 126.37 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 164.84 37.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -72.92 156.17 39.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -52.91 -25.23 11.11 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 122.787 0.435 . . . . 0.0 112.169 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -79.25 -27.43 42.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.59 0.632 . . . . 0.0 111.856 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.29 -33.76 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HA ' HG12 ' A' ' 51' ' ' ILE . 86.8 t80 -58.55 -31.58 68.1 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 123.532 0.733 . . . . 0.0 112.326 -175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.72 -16.71 63.38 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 122.113 -0.367 . . . . 0.0 111.669 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -85.37 -22.01 28.61 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 48' ' ' TYR . 11.0 mm -72.45 -46.27 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.4 2.03 34.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.561 0.744 . . . . 0.0 111.295 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -16.56 64.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.2 34.96 0.15 Allowed Glycine 0 C--N 1.339 0.746 0 CA-C-O 119.345 -0.697 . . . . 0.0 112.998 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.78 22.84 0.59 Allowed 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -67.64 -8.06 31.65 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.899 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.84 75.91 9.84 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.527 1.531 . . . . 0.0 107.517 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.28 171.86 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 125.13 3.886 . . . . 0.0 114.799 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 112.95 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.922 -2.778 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 C4'-C3'-C2' 98.538 -4.162 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.101 -3.599 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C5'-C4'-C3' 112.378 -2.081 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 2 C4'-C3'-C2' 98.167 -4.533 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.307 -4.393 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.342 -3.358 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.925 -2.775 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 1 C3'-C2'-C1' 105.749 4.721 OUTLIER-DELTA 0.39 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 100.23 -2.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . 0.444 " O2'" ' HE3' ' C' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.727 0 O4'-C1'-N19 111.493 3.293 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.585 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.515 1 C4'-C3'-C2' 98.224 -4.476 . 0.509 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.553 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O5'-C5'-C4' 115.604 3.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.585 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C5'-C4'-C3' 110.88 -3.08 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.818 -3.882 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.137 -3.563 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.466 -3.234 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 98.924 -3.776 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.459 -3.241 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.232 -3.468 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.2 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.54 117.31 18.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.57 148.96 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.956 -170.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.74 156.6 45.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.013 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 37.9 m -128.75 132.93 47.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 38.1 mtm-85 -142.28 -179.28 6.17 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 122.575 0.35 . . . . 0.0 111.306 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 34.6 mttp -127.12 155.02 43.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.419 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 30.1 m -54.76 120.33 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 111.231 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.07 -18.82 11.23 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.128 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -75.8 171.78 13.79 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 118.513 1.156 . . . . 0.0 112.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.0 m -139.99 160.8 39.12 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.503 0.721 . . . . 0.0 110.755 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.495 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 41.7 mm -140.69 160.89 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 125.451 1.5 . . . . 0.0 108.491 -174.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -125.69 148.2 49.11 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.031 0.443 . . . . 0.0 112.178 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.38 132.35 31.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.162 0.985 . . . . 0.0 108.578 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.49 -144.95 28.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.37 15.69 8.98 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.697 0.799 . . . . 0.0 110.492 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -136.99 1.79 2.52 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.305 0.642 . . . . 0.0 112.335 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.37 147.85 29.96 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 119.574 1.079 . . . . 0.0 111.796 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -140.96 154.63 46.16 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 35.4 mm -131.77 149.46 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 124.219 1.008 . . . . 0.0 108.564 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -146.86 130.14 16.6 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.3 tp -83.66 99.85 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 174.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.1 mt -71.31 -27.87 63.7 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.01 -0.431 . . . . 0.0 110.283 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.93 -169.76 34.16 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.56 170.43 18.22 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-N 116.976 0.388 . . . . 0.0 110.123 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -143.37 47.33 1.49 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.846 0.858 . . . . 0.0 108.819 -175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.44 -143.34 15.66 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 -172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.57 -8.81 57.72 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.109 0.955 . . . . 0.0 111.182 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.7 pt20 -81.34 158.41 24.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -137.5 149.39 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -172.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -128.88 126.91 40.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.459 0.647 . . . . 0.0 109.273 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.44 150.34 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.119 -167.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.33 158.67 14.64 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.2 147.32 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -137.92 93.57 2.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.99 157.12 61.52 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.539 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.01 158.35 57.78 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 123.568 2.845 . . . . 0.0 111.218 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.444 ' HE3' " O2'" ' B' ' 50' ' ' ' G' . 26.6 mmtp -65.04 -2.34 2.68 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.15 -8.45 38.63 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.157 0.983 . . . . 0.0 111.073 174.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.04 160.38 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.764 0.826 . . . . 0.0 109.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.58 142.57 35.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.72 125.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -156.54 170.61 21.96 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.198 0.523 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -73.91 157.74 35.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.06 -36.79 63.49 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.75 -13.7 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.497 -0.752 . . . . 0.0 112.135 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -98.98 -43.02 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -60.3 -28.65 68.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.291 1.036 . . . . 0.0 112.088 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -15.87 61.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.634 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -85.16 -21.45 29.2 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.223 0.465 . . . . 0.0 109.837 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.82 -40.43 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 122.88 0.472 . . . . 0.0 109.842 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -81.94 2.38 30.95 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.496 0.318 . . . . 0.0 111.793 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -16.13 51.41 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.55 30.52 0.12 Allowed Glycine 0 C--N 1.339 0.745 0 CA-C-O 119.511 -0.605 . . . . 0.0 113.165 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.76 -40.61 0.14 Allowed 'General case' 0 C--N 1.338 0.073 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -171.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 36.81 38.22 0.08 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.625 1.17 . . . . 0.0 112.818 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.79 75.12 6.97 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 122.896 0.478 . . . . 0.0 109.887 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.04 169.25 0.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.392 3.395 . . . . 0.0 115.004 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.53 -1.214 . . . . 0.0 113.217 -176.719 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.677 -3.023 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 C4'-C3'-C2' 98.185 -4.515 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 98.986 -3.714 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.153 1.953 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 2 O4'-C1'-N19 113.267 5.067 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 C4'-C3'-C2' 98.601 -4.099 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 99.586 -3.114 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.026 2.826 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 109.771 -3.82 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.47 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C3'-C2'-C1' 103.634 2.371 . 0.485 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.439 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O5'-C5'-C4' 114.628 3.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.47 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-C3' 110.528 -3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C4'-C3'-C2' 98.935 -3.765 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C4'-C3'-C2' 98.966 -3.734 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.302 -3.398 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.038 -3.662 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 99.174 -3.526 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.659 -3.041 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 100.08 -2.62 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 2' ' ' LEU . 3.0 tm? -117.93 128.07 54.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.9 mt -123.09 146.09 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-O 121.203 0.525 . . . . 0.0 110.933 -168.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -142.76 156.59 45.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.484 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.0 m -122.86 142.68 50.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -140.73 178.8 7.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -170.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 84.8 tttt -146.79 154.65 41.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 17.3 m -53.19 125.97 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 120.339 -0.545 . . . . 0.0 112.056 -172.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 5.32 43.51 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.436 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -114.73 177.35 4.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.403 1.102 . . . . 0.0 111.02 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.8 m -137.95 169.9 16.97 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -172.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -144.05 160.56 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 126.399 1.88 . . . . 0.0 107.925 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -129.65 154.37 47.19 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.111 0.481 . . . . 0.0 111.899 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.0 mt -143.02 132.94 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.888 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.41 -144.75 24.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.49 15.56 8.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.503 0.721 . . . . 0.0 110.34 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -135.54 0.48 2.75 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.134 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.13 147.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.342 0.239 0 CA-C-N 119.808 1.185 . . . . 0.0 111.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -141.31 156.04 45.9 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 108.157 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -133.51 148.9 30.7 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.063 0 C-N-CA 124.092 0.957 . . . . 0.0 108.431 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -145.36 131.01 18.89 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.282 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -88.5 92.06 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 1.1 mt -68.32 -26.9 65.85 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.094 -0.379 . . . . 0.0 110.883 -171.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.43 -172.83 36.92 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 112.16 -0.376 . . . . 0.0 112.16 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.45 170.55 19.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 O-C-N 122.465 -0.432 . . . . 0.0 110.134 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.1 m -144.31 47.45 1.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.75 -143.48 15.71 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.74 7.4 3.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.211 0.506 . . . . 0.0 111.514 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -102.87 156.55 17.58 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -136.03 149.71 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -171.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -127.56 123.92 36.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.554 0.692 . . . . 0.0 109.251 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -135.51 144.5 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 161.29 12.93 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.47 146.45 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -139.42 92.27 2.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.36 156.51 69.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.99 156.86 64.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.129 2.552 . . . . 0.0 110.33 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -68.34 -2.33 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 -7.89 44.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.159 1.383 . . . . 0.0 111.285 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.15 160.89 29.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 C-N-CA 123.826 0.851 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.54 147.26 30.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.959 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.54 125.75 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 8.4 m-70 -157.66 167.03 31.28 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 121.926 -0.484 . . . . 0.0 112.054 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -66.98 157.94 32.13 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.34 -22.05 51.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.598 0.181 . . . . 0.0 110.757 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -74.27 -32.66 63.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.594 0.358 . . . . 0.0 111.872 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.32 -32.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.339 0.114 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' HA ' HG12 ' A' ' 51' ' ' ILE . 88.9 t80 -57.08 -31.91 65.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.409 0.684 . . . . 0.0 112.214 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -70.3 -18.28 63.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.223 -0.298 . . . . 0.0 111.759 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -84.26 -21.17 31.21 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 48' ' ' TYR . 9.9 mm -72.0 -55.75 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.77 2.21 8.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.064 0.546 . . . . 0.0 112.182 -175.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.07 51.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.25 21.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 CA-C-O 119.567 -0.574 . . . . 0.0 113.274 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -164.69 -167.01 1.15 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.17 0.985 . . . . 0.0 112.055 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m -144.0 1.86 1.14 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.02 0.528 . . . . 0.0 110.287 172.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.56 88.53 4.61 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 123.713 0.805 . . . . 0.0 109.248 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.52 170.71 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.713 3.609 . . . . 0.0 114.567 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 CA--C 1.53 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 112.244 -179.245 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.979 -2.721 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C4'-C3'-C2' 98.474 -4.226 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.135 -3.565 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.268 -2.154 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 2 C4'-C3'-C2' 98.275 -4.425 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.654 -4.046 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.648 3.448 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.77 -2.93 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 2 O4'-C1'-N19 112.679 4.479 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' B' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 125.511 4.843 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O4'-C1'-N19 111.282 3.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.5 ' C2 ' " H1'" ' B' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 0 C3'-C2'-C1' 103.836 2.596 . 0.464 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.506 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O5'-C5'-C4' 115.86 4.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.5 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 98.911 -3.789 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.973 -3.727 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.106 -3.594 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 98.88 -3.82 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.222 -3.478 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.347 -3.353 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 100.054 -2.646 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 32.9 tpp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.17 117.32 18.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.78 150.14 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-O 121.106 0.479 . . . . 0.0 110.616 -171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.24 156.52 44.76 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.748 1.219 . . . . 0.0 108.061 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -129.65 132.5 46.73 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.491 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 48.9 mtm-85 -140.04 -179.67 6.1 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.0 111.843 -172.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -121.43 153.93 37.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.99 119.63 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.755 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.4 -18.25 10.21 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.154 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.23 172.49 12.76 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.171 0.985 . . . . 0.0 111.969 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -139.25 164.36 30.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.401 0.68 . . . . 0.0 110.557 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 42.4 mm -143.95 160.73 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 125.864 1.666 . . . . 0.0 108.579 -176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.86 150.96 45.89 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 118.225 0.466 . . . . 0.0 112.241 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -139.61 133.05 37.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 124.73 1.212 . . . . 0.0 108.356 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.44 -143.74 34.47 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -124.81 15.49 8.65 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.149 0.58 . . . . 0.0 110.166 177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -137.34 0.61 2.32 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.61 144.86 33.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 CA-C-N 119.288 0.949 . . . . 0.0 111.284 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -136.94 153.44 50.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.73 149.51 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 71.1 m -145.58 141.65 28.4 Favored 'General case' 0 C--N 1.338 0.087 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.3 95.61 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.88 -25.23 65.41 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.305 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.22 -167.78 32.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.84 170.3 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.176 0.488 . . . . 0.0 109.94 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -142.04 46.89 1.64 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 -143.27 15.75 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 -170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -9.71 58.92 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.683 0.741 . . . . 0.0 111.73 175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.5 pt20 -81.67 158.61 24.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.6 t -137.09 149.31 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -171.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -122.76 123.34 40.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -132.49 143.39 39.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.468 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.11 157.08 15.46 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.86 147.65 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.71 93.26 2.7 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.64 157.47 65.08 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.478 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.28 157.17 61.44 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.188 2.592 . . . . 0.0 110.438 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.5 -2.54 8.99 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.13 0.491 . . . . 0.0 110.176 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.31 -7.31 35.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.057 1.343 . . . . 0.0 111.448 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.13 161.0 29.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 123.295 0.638 . . . . 0.0 109.319 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 146.14 34.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.564 -176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -145.26 126.15 7.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.405 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 3.5 m-70 -158.52 167.81 28.61 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.107 0.479 . . . . 0.0 111.731 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -70.91 160.05 33.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -54.33 -24.49 19.47 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.5 0.32 . . . . 0.0 111.674 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -70.55 -58.08 4.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.341 0.519 . . . . 0.0 110.466 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.91 -33.32 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.62 -30.83 61.61 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.8 -8.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.012 -0.518 . . . . 0.0 112.396 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -87.67 -38.59 15.73 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.019 0.827 . . . . 0.0 110.944 172.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.11 -26.66 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 126.359 1.863 . . . . 0.0 114.904 -169.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.603 ' H ' ' NE2' ' C' ' 52' ' ' GLN . 0.1 OUTLIER -130.06 2.33 4.77 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.24 -11.19 60.72 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.953 -0.467 . . . . 0.0 112.087 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.18 11.34 1.05 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -161.62 174.52 13.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.02 0.528 . . . . 0.0 110.884 -169.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -140.6 11.08 2.28 Favored 'General case' 0 N--CA 1.461 0.084 0 C-N-CA 123.457 0.703 . . . . 0.0 110.75 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.76 126.11 6.06 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.87 173.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 125.091 3.861 . . . . 0.0 114.418 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.267 1.027 . . . . 0.0 112.897 -177.364 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 111.432 -2.712 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.762 -3.938 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.195 -3.505 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.346 2.146 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 2 C4'-C3'-C2' 97.83 -4.87 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.711 -3.989 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.354 -3.346 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.718 2.518 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 105.05 3.944 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.412 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 110.827 2.627 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.512 -2.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.515 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C3'-C2'-C1' 103.844 2.604 . 0.471 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.463 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O5'-C5'-C4' 115.143 3.531 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.515 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 C4'-C3'-C2' 99.053 -3.647 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.021 -3.679 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.525 -3.175 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.739 -3.961 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C4'-C3'-C2' 99.1 -3.6 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.157 -3.543 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.777 -2.923 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 tpp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -119.14 126.85 52.58 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 77.3 mt -122.56 148.74 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.502 -167.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.15 157.33 43.83 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 108.824 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.0 m -128.43 136.91 51.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.617 ' HD3' ' CG1' ' A' ' 12' ' ' ILE . 64.2 mtm-85 -143.32 -178.8 6.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -171.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -125.34 161.87 26.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.965 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.22 123.86 17.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.503 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.36 -12.24 23.74 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.025 0.822 . . . . 0.0 112.842 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -84.99 173.78 10.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.334 1.067 . . . . 0.0 111.617 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -138.35 169.49 17.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.285 0.634 . . . . 0.0 111.324 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.617 ' CG1' ' HD3' ' A' ' 6' ' ' ARG . 36.3 mm -146.53 161.98 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 125.725 1.61 . . . . 0.0 108.435 -177.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -124.96 147.53 48.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.636 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -139.28 132.75 38.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 C-N-CA 124.289 1.035 . . . . 0.0 108.292 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.19 -143.15 21.6 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.03 15.54 8.5 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.157 0.583 . . . . 0.0 110.667 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -134.67 2.08 3.15 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.123 0.569 . . . . 0.0 112.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.36 148.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.519 1.054 . . . . 0.0 111.531 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.7 m -141.05 153.91 45.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.71 149.59 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 124.113 0.965 . . . . 0.0 108.623 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 m -145.63 141.46 28.16 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-O 120.546 0.213 . . . . 0.0 110.696 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' HB ' HH21 ' A' ' 6' ' ' ARG . 1.8 tp -97.59 99.39 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.7 mt -71.19 -27.58 63.62 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -174.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.22 -168.77 34.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -127.85 170.4 17.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.051 0.453 . . . . 0.0 110.107 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 m -143.08 44.33 1.56 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.84 -143.76 15.74 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.49 3.46 7.57 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.542 0.671 . . . . 0.0 111.678 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 9.8 pt20 -100.02 157.05 16.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 149.64 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -170.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm105 -127.76 127.02 42.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 109.293 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -130.12 151.09 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 114.295 -1.321 . . . . 0.0 109.016 -167.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.8 158.64 16.5 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.1 mt -134.31 147.04 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -138.67 93.07 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.23 156.65 67.59 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.219 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 157.51 57.16 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 123.163 2.575 . . . . 0.0 109.9 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.24 -0.74 2.73 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.208 0.527 . . . . 0.0 110.092 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.99 -10.41 49.24 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.444 1.498 . . . . 0.0 111.724 175.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.35 160.67 31.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 C-N-CA 123.192 0.597 . . . . 0.0 110.299 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.46 143.01 32.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.642 0.377 . . . . 0.0 110.272 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.51 127.05 10.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' HD1' ' H1 ' ' D' ' 49' ' ' ' G' . 7.5 m-70 -156.76 163.36 39.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.37 160.48 30.23 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -50.79 -33.66 24.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -69.17 -16.82 63.72 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.73 -38.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -58.83 -31.19 68.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.302 0.641 . . . . 0.0 111.872 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.25 -18.26 63.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -84.34 -21.54 30.89 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.865 0.757 . . . . 0.0 109.51 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -79.28 -47.38 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.95 2.35 12.83 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 122.208 -0.307 . . . . 0.0 111.717 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.05 42.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 19.29 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.6 -0.556 . . . . 0.0 112.432 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.08 -166.7 1.63 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.823 0.811 . . . . 0.0 111.427 -169.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -144.13 3.51 1.21 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.822 0.449 . . . . 0.0 110.559 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.13 106.11 2.99 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.607 0.763 . . . . 0.0 108.971 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -50.99 173.3 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.425 3.417 . . . . 0.0 114.916 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 124.431 1.092 . . . . 0.0 112.335 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.941 -2.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 1 C4'-C3'-C2' 98.599 -4.101 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.277 -3.423 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.163 1.963 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 C4'-C3'-C2' 97.917 -4.783 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 112.093 3.893 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.498 3.298 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.008 2.808 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C5'-C4'-C3' 109.658 -3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.443 ' N3 ' " H2'" ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 109.834 -3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.565 " C2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.836 1 C4'-C3'-C2' 98.141 -4.559 . 0.101 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.565 H5'' " C2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O5'-C5'-C4' 116.438 4.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.911 -3.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.85 -3.85 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.282 -3.418 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.456 -3.244 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 98.831 -3.869 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.127 -3.573 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.438 -3.262 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.948 -2.752 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.6 tpp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.08 120.84 23.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.412 HD11 " H5'" ' D' ' 52' ' ' ' A' . 3.5 mp -106.19 147.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-O 121.179 0.514 . . . . 0.0 110.868 -171.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -142.65 156.96 45.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.715 1.206 . . . . 0.0 108.588 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -126.81 143.31 51.3 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -144.74 175.0 10.5 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.177 0.591 . . . . 0.0 110.498 -170.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 28.7 mttp -134.64 154.76 51.37 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 173.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.1 m -57.24 127.18 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.624 -175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.16 6.77 44.78 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.407 -0.663 . . . . 0.0 113.503 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -118.31 179.54 4.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.455 1.127 . . . . 0.0 110.915 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -137.83 170.22 16.43 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mt -142.95 162.22 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 126.805 2.042 . . . . 0.0 107.3 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -134.71 153.52 51.96 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -142.63 136.05 27.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 124.42 1.088 . . . . 0.0 108.645 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.52 -144.7 25.03 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -124.52 15.31 8.86 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.46 0.704 . . . . 0.0 110.158 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -136.21 1.04 2.64 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.363 0.665 . . . . 0.0 112.503 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.76 145.48 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 119.228 0.922 . . . . 0.0 111.658 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.4 m -141.2 156.97 45.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -132.32 149.18 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -143.43 135.21 26.53 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -94.07 90.58 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 1.1 mt -66.01 -25.88 67.27 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.242 -0.286 . . . . 0.0 110.943 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.78 -170.63 35.31 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.95 170.32 19.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.69 47.55 1.26 Allowed 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.72 -143.65 15.72 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -171.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.37 8.53 4.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.823 0.811 . . . . 0.0 111.448 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -100.98 158.94 15.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 168.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.01 149.42 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -172.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -124.34 122.07 36.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.547 0.739 . . . . 0.0 109.063 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.91 144.47 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.588 -168.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.63 162.05 12.65 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt -134.35 146.92 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -138.63 91.71 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 156.49 63.12 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.017 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.97 157.83 54.88 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 122.793 2.328 . . . . 0.0 109.776 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -66.92 -0.57 3.18 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 109.954 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.68 -12.26 57.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.618 1.567 . . . . 0.0 111.546 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.48 160.6 37.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 C-N-CA 123.163 0.585 . . . . 0.0 109.801 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.14 141.38 35.95 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.283 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -145.15 123.42 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' B' ' 49' ' ' ' G' . 6.1 m-70 -156.64 165.37 36.46 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 11.4 tpt180 -63.82 153.97 34.99 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -53.75 -26.25 22.6 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 25.0 tp10 -70.29 -55.52 9.02 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.624 0.369 . . . . 0.0 110.586 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.57 -31.58 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.73 -27.47 63.02 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.34 -11.2 60.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.123 -0.361 . . . . 0.0 111.291 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -87.26 -37.87 16.82 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.302 0.501 . . . . 0.0 110.499 170.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 C-N-CA 124.689 1.196 . . . . 0.0 112.311 -172.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.61 1.88 24.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.4 -13.64 60.41 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 122.283 -0.261 . . . . 0.0 110.632 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.99 24.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.071 -0.85 . . . . 0.0 113.157 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -126.33 -4.33 6.72 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.553 1.177 . . . . 0.0 112.675 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.5 p -71.96 -1.03 13.01 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.074 0.397 . . . . 0.0 111.863 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.72 69.76 10.24 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 123.192 0.597 . . . . 0.0 110.187 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -46.16 -37.55 18.32 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 124.466 3.444 . . . . 0.0 114.207 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.143 -174.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 1 C4'-C3'-C2' 98.286 -4.414 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 C4'-C3'-C2' 99.05 -3.65 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.42 2.22 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 2 O4'-C1'-N19 113.094 4.894 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.781 -3.919 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.248 -3.452 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C4'-C3'-C2' 99.033 -3.667 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C5'-C4'-C3' 109.012 -4.326 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.512 ' H1 ' ' HD1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 O4'-C1'-N19 110.917 2.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C5'-C4'-C3' 111.484 -2.677 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.561 ' C2 ' " H1'" ' D' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 103.752 2.502 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.459 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 O5'-C5'-C4' 115.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.561 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C5'-C4'-C3' 111.098 -2.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.061 -3.639 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C4'-C3'-C2' 98.845 -3.855 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.164 -3.536 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C4'-C3'-C2' 99.119 -3.581 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.333 -3.367 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.12 -3.58 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C4'-C3'-C2' 99.833 -2.867 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.46 126.13 38.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.01 147.21 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.476 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.9 mt -145.27 156.06 43.6 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.495 1.118 . . . . 0.0 108.583 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.16 146.04 34.78 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 171.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 4.2 tpm_? -148.6 129.67 14.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.272 0.629 . . . . 0.0 109.72 -176.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 32.5 mttp -85.76 152.99 22.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 32.6 m -54.1 133.41 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 119.382 -0.927 . . . . 0.0 110.628 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.42 4.33 57.3 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.422 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -113.1 178.09 4.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.196 0.998 . . . . 0.0 110.588 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 m -138.33 169.71 17.31 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -146.13 160.91 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 126.318 1.847 . . . . 0.0 108.46 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.15 153.96 46.29 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.7 mt -142.17 129.49 20.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 124.438 1.095 . . . . 0.0 108.646 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -144.32 36.68 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.83 15.46 8.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.212 0.605 . . . . 0.0 110.396 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -135.99 0.27 2.61 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.26 145.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 CA-C-N 119.719 1.145 . . . . 0.0 111.284 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -136.85 155.34 49.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.9 mm -133.33 149.15 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -143.09 145.4 32.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -107.36 84.39 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.92 -26.22 68.7 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -170.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 163.8 -167.52 37.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 172.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.68 169.97 18.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.54 47.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.73 -143.59 15.72 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 -7.07 56.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.231 1.015 . . . . 0.0 110.563 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' C' ' 7' ' ' LYS . 4.1 pt20 -81.81 160.77 23.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 168.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.16 149.1 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.718 0.807 . . . . 0.0 109.207 -171.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -117.26 115.46 25.33 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.227 1.011 . . . . 0.0 108.725 -175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -132.65 144.45 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.655 0.382 . . . . 0.0 110.131 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.88 159.55 13.91 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.6 mt -134.67 144.49 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -137.2 94.67 2.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.63 158.2 68.63 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.431 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.97 156.72 65.07 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.032 2.488 . . . . 0.0 110.483 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.41 -3.04 7.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.059 0.457 . . . . 0.0 110.411 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.06 -7.16 44.49 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.815 1.246 . . . . 0.0 111.896 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -139.03 160.99 29.39 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.23 143.96 31.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -142.84 117.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' A' ' 51' ' ' ILE . 6.2 m-70 -156.61 161.52 39.91 Favored 'General case' 0 N--CA 1.461 0.083 0 O-C-N 121.772 -0.58 . . . . 0.0 111.353 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -71.86 156.93 38.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.8 -27.75 44.12 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.1 -29.02 62.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.74 -33.89 6.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.11 -28.22 64.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.56 0.744 . . . . 0.0 112.227 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -73.36 -17.05 61.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.832 -0.542 . . . . 0.0 112.018 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.16 -20.95 36.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 43' ' ' HIS . 57.1 mt -77.43 -55.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -67.61 0.48 3.11 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.14 -11.68 59.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.136 0.575 . . . . 0.0 112.025 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.68 13.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.414 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -161.28 -174.76 4.47 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.205 1.003 . . . . 0.0 111.141 -170.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -149.87 12.39 0.77 Allowed 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.151 -0.343 . . . . 0.0 111.354 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.49 123.12 5.77 Favored Pre-proline 0 N--CA 1.451 -0.4 0 O-C-N 121.938 -0.476 . . . . 0.0 110.786 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.48 -27.31 18.49 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.533 3.489 . . . . 0.0 114.356 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -170.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.739 -2.961 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 C4'-C3'-C2' 98.466 -4.234 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.963 -3.737 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 112.067 -2.289 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 2 C4'-C3'-C2' 98.071 -4.629 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.148 -3.552 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.569 -3.131 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C4'-C3'-C2' 99.214 -3.486 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.775 3.575 . 0.598 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.483 H5'' ' C4 ' ' B' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.431 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.784 -3.144 . 0.481 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.431 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O5'-C5'-C4' 114.687 3.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.404 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-C3' 110.33 -3.446 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.271 -3.429 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.098 -3.602 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C4'-C3'-C2' 99.236 -3.464 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 C4'-C3'-C2' 98.691 -4.009 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.395 -3.305 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.395 -3.305 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 111.109 2.909 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.4 tpp . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.8 114.84 15.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.65 148.85 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 121.127 0.489 . . . . 0.0 110.064 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -142.51 156.24 45.12 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.146 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 42.3 m -126.68 135.38 51.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.573 ' HD3' ' CG1' ' C' ' 12' ' ' ILE . 46.8 mtm-85 -141.56 -177.67 5.28 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 81.1 tttt -137.82 154.27 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 24.6 m -51.78 116.53 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 121.414 0.626 . . . . 0.0 112.33 -172.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 -19.99 7.76 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.185 -0.916 . . . . 0.0 113.308 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -75.71 172.79 12.02 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.448 1.124 . . . . 0.0 112.38 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -140.62 165.82 26.41 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.966 0.906 . . . . 0.0 110.632 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.573 ' CG1' ' HD3' ' C' ' 6' ' ' ARG . 45.2 mm -144.34 161.91 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 C-N-CA 125.712 1.605 . . . . 0.0 108.524 -175.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -124.25 148.75 47.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -140.22 131.38 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.83 -142.99 25.42 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.69 15.61 8.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.231 0.612 . . . . 0.0 110.478 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -135.13 1.23 2.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.979 -0.534 . . . . 0.0 112.293 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.06 147.6 29.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 119.117 0.871 . . . . 0.0 111.425 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -141.05 154.22 45.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 mm -132.77 150.2 32.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -145.37 142.77 29.66 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 122.477 0.311 . . . . 0.0 110.306 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.482 ' HB ' HH21 ' C' ' 6' ' ' ARG . 2.2 tp -98.26 97.04 5.64 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 175.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 23' ' ' LEU . 3.8 mt -70.12 -28.07 65.09 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.175 -0.328 . . . . 0.0 110.387 -174.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.58 -169.89 33.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.22 167.4 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -141.83 46.57 1.66 Allowed 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.87 -143.56 15.72 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.214 -2.354 . . . . 0.0 107.214 -168.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -83.32 6.03 21.2 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.947 0.874 . . . . 0.0 110.921 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 16.0 pt20 -96.72 158.75 15.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 167.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.57 149.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -120.37 120.31 35.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.19 143.51 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.635 -169.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.86 154.44 16.96 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.6 mt -135.01 147.27 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -139.6 93.29 2.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 156.6 68.72 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.206 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.5 157.12 56.78 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 123.362 2.708 . . . . 0.0 110.606 172.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -63.28 -1.09 0.96 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 172.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.72 -12.0 56.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.795 1.238 . . . . 0.0 111.535 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.46 160.65 31.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 123.458 0.703 . . . . 0.0 110.155 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.15 143.38 35.41 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.04 0.536 . . . . 0.0 109.904 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.81 114.62 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -158.28 170.52 22.05 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 121.956 -0.465 . . . . 0.0 111.806 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -65.97 158.55 27.9 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 124.229 1.012 . . . . 0.0 110.034 173.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.37 -31.48 70.37 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 121.849 -0.532 . . . . 0.0 111.756 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -73.34 -6.57 47.0 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.198 0.454 . . . . 0.0 111.808 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.53 -31.44 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.479 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 91.2 t80 -62.05 -31.51 71.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.223 1.009 . . . . 0.0 112.083 -176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.22 -18.06 64.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.158 -0.339 . . . . 0.0 111.512 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -84.49 -21.4 30.61 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 12.9 mm -74.06 -47.47 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.371 0.668 . . . . 0.0 109.72 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -82.23 2.27 32.62 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.712 0.805 . . . . 0.0 111.637 -176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -16.41 57.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.77 30.88 0.14 Allowed Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.519 -0.6 . . . . 0.0 113.129 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.94 -40.99 0.12 Allowed 'General case' 0 C--N 1.339 0.137 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -171.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.426 ' HA ' HG22 ' C' ' 51' ' ' ILE . 3.7 m 39.82 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.458 1.103 . . . . 0.0 113.63 -171.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.48 119.21 2.25 Favored Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 121.617 -0.677 . . . . 0.0 110.095 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.96 -178.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.272 3.314 . . . . 0.0 113.123 171.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 123.137 0.575 . . . . 0.0 111.645 177.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 111.243 -2.838 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 C4'-C3'-C2' 98.44 -4.26 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 98.991 -3.709 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 110.5 2.3 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 2 O4'-C1'-N19 112.739 4.539 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 C4'-C3'-C2' 98.592 -4.108 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O4'-C1'-N19 111.337 3.137 . 0.396 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.415 3.215 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . 0.459 " H4'" ' OP1' ' D' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.64 3.44 OUTLIER-EPSILON 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . 0.459 ' OP1' " H4'" ' D' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.468 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.366 0 C3'-C2'-C1' 103.538 2.264 . 0.507 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.468 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O5'-C5'-C4' 114.968 3.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.642 -3.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 98.919 -3.781 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.025 -3.675 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.283 -3.417 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.356 -3.344 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.301 -3.399 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.245 -3.455 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 100.135 -2.565 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 2' ' ' LEU . 2.9 tm? -118.7 123.3 44.57 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 171.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 HD11 " H4'" ' B' ' 52' ' ' ' A' . 73.1 mt -115.43 149.8 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.484 0.659 . . . . 0.0 111.283 -168.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -143.39 155.74 44.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.541 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.5 m -137.85 121.4 17.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -142.3 -176.1 4.7 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.214 0.605 . . . . 0.0 110.088 -172.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 41.5 mtpt -122.54 164.11 18.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.592 0.357 . . . . 0.0 110.326 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.99 134.98 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 118.377 -1.329 . . . . 0.0 110.55 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.4 5.95 60.13 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.687 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -108.29 177.09 4.9 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 118.204 1.002 . . . . 0.0 111.236 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -137.07 167.8 20.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -144.25 163.83 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 125.725 1.61 . . . . 0.0 107.703 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.41 151.81 50.8 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -142.94 138.8 27.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.53 1.132 . . . . 0.0 109.383 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.04 -142.86 30.65 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -124.93 14.55 8.54 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.547 0.739 . . . . 0.0 109.872 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.62 3.12 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.358 0.663 . . . . 0.0 112.295 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.49 147.44 29.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 119.457 1.026 . . . . 0.0 111.608 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -141.05 155.64 46.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.4 mm -132.37 149.51 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 108.28 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -143.16 133.0 23.99 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-N 117.725 0.239 . . . . 0.0 110.663 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -91.66 92.3 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 mt -67.25 -23.72 65.72 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.088 -0.382 . . . . 0.0 111.177 -173.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.77 -170.88 34.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG22 HE22 ' C' ' 28' ' ' GLN . 2.4 m -126.67 170.1 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 116.972 0.386 . . . . 0.0 110.27 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.4 m -144.85 47.4 1.34 Allowed 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.63 0.772 . . . . 0.0 109.024 -177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.68 -126.38 8.58 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 -1.08 57.7 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.04 154.56 26.8 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 168.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.69 149.36 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -124.83 124.33 41.86 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.62 146.17 25.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.531 -169.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 163.16 13.79 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.2 mt -134.62 147.34 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -139.14 92.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.53 156.07 66.83 Favored Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.661 -177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.31 157.34 60.64 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.239 2.626 . . . . 0.0 110.566 173.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -68.72 -2.4 9.19 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -69.56 -8.19 45.09 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.023 1.329 . . . . 0.0 111.16 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.11 160.99 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 C-N-CA 123.559 0.744 . . . . 0.0 109.2 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.23 148.46 31.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.674 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.4 m -144.7 126.87 9.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -157.72 163.46 38.12 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -75.75 159.89 30.6 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -50.25 -33.95 21.5 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -65.23 -38.49 90.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.67 -0.644 . . . . 0.0 111.372 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -38.75 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 118.91 0.777 . . . . 0.0 108.994 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.6 -32.4 70.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.055 0.542 . . . . 0.0 111.786 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -69.79 -18.34 63.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -87.16 -21.73 25.75 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.766 0.712 . . . . 0.0 109.807 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -76.93 -41.45 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -82.09 1.97 33.46 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 122.249 0.22 . . . . 0.0 111.56 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -16.64 61.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.25 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-O 119.259 -0.745 . . . . 0.0 112.925 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.56 -40.76 0.12 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 118.481 1.14 . . . . 0.0 113.984 -171.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.7 m 41.33 28.29 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.488 1.115 . . . . 0.0 113.474 -172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.13 123.05 3.1 Favored Pre-proline 0 N--CA 1.454 -0.237 0 O-C-N 121.758 -0.589 . . . . 0.0 109.776 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.3 170.24 0.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.961 3.107 . . . . 0.0 114.402 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.316 1.046 . . . . 0.0 112.854 -178.26 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 99.812 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 1 C4'-C3'-C2' 98.551 -4.149 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.141 -3.559 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 112.452 -2.032 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 2 C4'-C3'-C2' 97.884 -4.816 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 98.954 -3.746 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.755 -2.945 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.756 -2.944 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 2 C3'-C2'-C1' 105.391 4.324 . 0.699 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 103.766 2.518 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 112.054 3.854 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.553 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 C4'-C3'-C2' 98.345 -4.355 . 0.284 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.553 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 1 O5'-C5'-C4' 116.433 4.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . 0.529 " H1'" ' C2 ' ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.874 0 C4'-C3'-C2' 99.596 -3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 98.734 -3.966 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.193 -3.507 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.48 -3.22 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.088 -3.612 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.206 -3.494 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.275 -3.425 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 100.139 -2.561 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.23 126.52 48.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.408 HD11 " C4'" ' D' ' 52' ' ' ' A' . 66.4 mt -124.99 151.91 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 120.712 0.291 . . . . 0.0 111.777 -166.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.3 159.15 43.48 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.42 1.088 . . . . 0.0 109.564 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 77.4 m -127.04 129.58 48.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 -140.0 -172.7 3.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.047 0.539 . . . . 0.0 110.287 -171.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -136.49 166.37 23.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.461 0.172 . . . . 0.0 110.553 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 28.7 m -57.82 116.49 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 121.234 0.54 . . . . 0.0 111.023 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.84 -16.28 16.14 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.095 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -71.83 166.27 22.4 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.708 1.254 . . . . 0.0 111.435 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -139.02 156.5 47.16 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.361 0.664 . . . . 0.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mm -139.34 161.7 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.604 1.561 . . . . 0.0 108.533 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -126.4 150.79 48.39 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 118.24 0.473 . . . . 0.0 111.702 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -141.96 134.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 108.686 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.69 -142.8 29.38 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -124.63 15.24 8.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.434 0.693 . . . . 0.0 110.218 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -138.78 0.96 2.05 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.05 147.54 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 119.29 0.95 . . . . 0.0 111.48 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -139.62 153.1 47.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.81 149.81 33.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -144.99 146.67 32.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 120.819 0.343 . . . . 0.0 110.16 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -102.52 90.07 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.64 -28.34 69.55 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.059 -0.401 . . . . 0.0 110.158 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.95 -165.51 35.85 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 172.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -130.06 170.32 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 117.29 0.545 . . . . 0.0 110.241 173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -146.99 48.66 1.14 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.489 0.716 . . . . 0.0 109.696 -174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.67 -143.53 15.7 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 107.244 -2.343 . . . . 0.0 107.244 -171.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.511 HE22 HG22 ' A' ' 25' ' ' VAL . 10.7 tp60 -82.4 1.69 36.08 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.084 0.942 . . . . 0.0 110.563 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.8 pt20 -89.79 162.81 15.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.47 149.1 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -114.97 116.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.099 0.96 . . . . 0.0 108.498 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -125.32 145.98 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 157.15 21.08 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -134.7 147.45 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -136.73 92.98 2.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.88 158.31 59.57 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.415 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.35 158.68 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.153 2.569 . . . . 0.0 110.323 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -71.28 -0.81 10.83 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -69.57 -7.75 41.25 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.937 1.295 . . . . 0.0 110.892 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.09 160.89 29.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 C-N-CA 123.717 0.807 . . . . 0.0 109.168 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.34 142.78 39.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.24 122.12 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -158.26 170.81 21.42 Favored 'General case' 0 N--CA 1.461 0.094 0 C-N-CA 122.616 0.367 . . . . 0.0 110.019 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -75.85 159.0 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -49.03 -34.75 14.03 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.16 -30.02 71.1 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.144 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -90.5 -39.03 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 109.467 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.24 -32.2 69.76 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.291 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.83 -18.46 63.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -85.53 -21.24 28.68 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 53.2 mt -81.29 -50.95 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -69.6 1.78 3.81 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -13.34 61.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.905 0.482 . . . . 0.0 111.832 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.2 19.29 0.06 OUTLIER Glycine 0 C--N 1.341 0.83 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.748 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -163.56 -172.5 2.93 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.489 1.145 . . . . 0.0 112.822 -168.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -142.8 9.83 1.77 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.754 0.822 . . . . 0.0 111.102 173.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.67 120.4 4.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.84 176.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.525 3.483 . . . . 0.0 114.733 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.736 177.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 100.065 -2.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C4'-C3'-C2' 98.49 -4.21 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.377 -3.323 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 110.596 2.396 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 2 O4'-C1'-N19 113.3 5.1 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.863 3.663 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.749 -2.951 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.427 3.227 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 O4'-C1'-N19 111.947 3.747 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 O4'-C1'-N19 111.342 3.142 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.454 " H2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.381 2.09 . 0.487 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.454 H5'' " H2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C3'-C2'-C1' 104.936 3.818 OUTLIER-EPSILON 0.01 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . 0.429 " H1'" ' C2 ' ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 P-O3'-C3' 124.59 4.075 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 98.841 -3.859 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.506 -3.194 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.401 -3.299 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 98.724 -3.976 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.458 -3.242 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.216 -3.484 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.016 -2.684 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.2 127.95 54.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 173.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CD1' " H4'" ' B' ' 52' ' ' ' A' . 70.8 mt -122.83 145.26 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 111.211 -167.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -142.21 156.75 45.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.029 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -125.2 140.75 52.58 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -143.38 -179.74 6.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.18 0.992 . . . . 0.0 109.642 -175.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 40.7 ttmt -140.39 154.96 46.88 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 171.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 20.1 m -49.57 118.44 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.329 0.585 . . . . 0.0 112.398 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.19 -17.81 14.42 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.756 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -86.31 177.04 7.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.376 1.088 . . . . 0.0 111.486 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -141.2 168.38 19.92 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.0 mm -138.18 160.91 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.843 2.057 . . . . 0.0 107.489 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -133.52 151.24 51.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.827 0.74 . . . . 0.0 112.097 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.4 mt -142.58 133.33 24.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 123.959 0.904 . . . . 0.0 108.702 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -144.75 27.64 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -124.5 15.17 8.87 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.484 0.713 . . . . 0.0 110.35 176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -134.45 0.45 3.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.423 0.689 . . . . 0.0 112.19 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.76 146.57 30.52 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 119.632 1.105 . . . . 0.0 111.702 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.5 m -141.3 154.89 45.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.2 mm -133.78 149.24 30.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -144.39 133.57 22.94 Favored 'General case' 0 N--CA 1.461 0.098 0 O-C-N 122.314 -0.241 . . . . 0.0 110.567 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -86.3 91.44 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 23' ' ' LEU . 4.1 mt -66.52 -27.15 67.54 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.082 -0.387 . . . . 0.0 110.713 -174.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.89 -171.21 34.91 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 174.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -128.37 169.46 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 CA-C-N 116.964 0.382 . . . . 0.0 110.265 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' H41' ' D' ' 45' ' ' ' C' . 4.6 m -145.64 48.87 1.24 Allowed 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.164 0.985 . . . . 0.0 108.863 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.51 -143.09 15.64 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.25 3.3 36.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 117.684 0.742 . . . . 0.0 111.177 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -88.1 163.3 16.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 166.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -138.1 146.29 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -118.4 120.52 37.82 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.39 142.89 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.225 -169.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.53 13.77 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.79 147.88 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -139.42 91.33 2.48 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.97 157.38 64.26 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.113 -177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 157.74 59.56 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.711 2.941 . . . . 0.0 111.643 172.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HE3' " O2'" ' D' ' 50' ' ' ' G' . 27.4 mmtp -66.89 -5.22 11.63 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 173.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.28 -7.94 21.73 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.803 0.841 . . . . 0.0 110.721 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 m -139.12 161.5 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.1 146.24 38.34 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.14 126.03 10.46 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.058 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -157.12 165.52 35.79 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.468 0.175 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -73.39 161.43 30.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.31 -41.15 65.36 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -67.04 -7.27 21.46 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.79 -38.47 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.038 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 171.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -59.55 -31.55 69.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.701 0.8 . . . . 0.0 111.948 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -69.87 -18.26 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -84.01 -21.04 31.8 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.621 0.646 . . . . 0.0 109.383 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -80.05 -51.09 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.43 2.06 5.48 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.58 -11.45 58.13 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.123 0.569 . . . . 0.0 112.469 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.04 15.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.633 -0.537 . . . . 0.0 113.144 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -161.42 -167.9 1.87 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.667 0.734 . . . . 0.0 110.885 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -143.77 6.49 1.41 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.255 -0.278 . . . . 0.0 111.585 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 123.63 4.18 Favored Pre-proline 0 CA--C 1.53 0.176 0 O-C-N 121.992 -0.442 . . . . 0.0 110.735 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.49 176.71 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 125.004 3.803 . . . . 0.0 113.445 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.561 -177.459 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 C4'-C3'-C2' 98.396 -4.304 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 98.826 -3.874 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 110.321 2.121 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 O4'-C1'-N19 113.151 4.951 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 C4'-C3'-C2' 98.375 -4.325 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.034 -2.666 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 O4'-C1'-N19 110.885 2.685 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 2 O4'-C1'-N19 112.266 4.066 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . 0.541 ' H1 ' ' HD1' ' C' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 110.85 2.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 C5'-C4'-C3' 111.121 -2.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ' A' . . . . . 0.479 " H2'" H5'' ' B' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.953 0 C3'-C2'-C1' 104.021 2.801 . 0.463 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ' A' . . . . . 0.479 H5'' " H2'" ' B' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O5'-C5'-C4' 115.224 3.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 98.71 -3.99 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 98.707 -3.993 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.01 -3.69 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.039 -3.661 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.498 -3.202 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.502 -3.198 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.888 -2.812 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 34.1 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.94 125.93 54.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.415 HD11 " C4'" ' D' ' 52' ' ' ' A' . 63.8 mt -127.47 141.25 46.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.667 0.27 . . . . 0.0 111.059 -167.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.32 161.63 41.67 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.827 -176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.07 149.95 32.73 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.381 0.61 . . . . 0.0 110.38 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.3 OUTLIER -144.53 -179.57 6.64 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.382 1.473 . . . . 0.0 107.93 177.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -136.45 161.19 36.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -59.25 121.17 6.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 117.814 -1.554 . . . . 0.0 111.235 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.95 -13.69 31.76 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.939 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -86.98 175.69 8.01 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.091 0.945 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -142.51 168.9 18.63 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -141.06 163.16 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 126.308 1.843 . . . . 0.0 107.484 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -128.97 153.57 47.43 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 121.853 -0.53 . . . . 0.0 111.703 -175.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -143.32 134.71 23.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 124.217 1.007 . . . . 0.0 109.163 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.79 -144.19 22.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.52 15.59 8.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.461 0.704 . . . . 0.0 110.783 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -137.2 1.72 2.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.447 0.699 . . . . 0.0 112.367 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -134.48 148.2 29.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 119.552 1.069 . . . . 0.0 111.691 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 80.7 m -139.99 154.59 47.19 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 mm -132.49 148.97 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.76 149.1 36.59 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.19 90.29 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.25 -25.18 65.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.796 -170.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.46 -173.52 37.04 Favored Glycine 0 C--N 1.339 0.735 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.685 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.32 169.4 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -146.04 48.86 1.21 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.92 -143.25 15.7 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 107.932 -2.067 . . . . 0.0 107.932 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.43 -12.47 60.81 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.082 0.441 . . . . 0.0 110.816 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 3.2 pt20 -79.86 155.63 27.71 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.12 149.28 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 123.455 0.702 . . . . 0.0 109.612 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -122.63 131.09 53.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.175 0.988 . . . . 0.0 110.264 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.48 143.86 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 113.44 -1.709 . . . . 0.0 108.273 -167.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.27 158.95 15.95 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.75 147.82 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -138.14 92.01 2.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.25 63.71 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.784 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.19 160.77 47.39 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.779 2.986 . . . . 0.0 111.202 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -67.7 -0.95 4.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.418 172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.88 -10.21 46.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.634 1.173 . . . . 0.0 110.844 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.37 160.02 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.354 0.662 . . . . 0.0 110.327 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.68 141.52 36.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.19 125.63 12.66 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . 0.541 ' HD1' ' H1 ' ' B' ' 49' ' ' ' G' . 7.8 m-70 -156.22 167.8 29.3 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -81.74 160.98 23.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -48.56 -34.34 11.28 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.4 -31.67 72.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.896 -0.503 . . . . 0.0 112.198 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.56 -38.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.338 0.104 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.03 -32.28 67.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.036 0.534 . . . . 0.0 111.987 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -18.44 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -84.69 -21.75 30.04 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 118.568 0.622 . . . . 0.0 109.557 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -79.46 -49.92 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -72.27 2.1 6.6 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -12.41 56.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.812 0.445 . . . . 0.0 112.14 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.16 20.03 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.624 -0.542 . . . . 0.0 113.386 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.62 -171.16 2.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.892 0.846 . . . . 0.0 111.811 -169.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m -146.03 22.71 1.38 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.356 0.663 . . . . 0.0 109.809 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.24 99.11 5.98 Favored Pre-proline 0 CA--C 1.531 0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.268 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.81 -40.19 24.65 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 124.652 3.568 . . . . 0.0 114.34 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -175.281 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.898 -2.802 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 1 C4'-C3'-C2' 98.473 -4.227 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C4'-C3'-C2' 98.846 -3.854 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.941 -2.373 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 97.867 -4.833 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ' C' . . . . . 0.405 ' H41' ' HB3' ' A' ' 26' ' ' SER . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.227 -3.473 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 99.45 -3.25 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.985 -2.715 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 2 C5'-C4'-C3' 109.176 -4.216 OUTLIER-DELTA 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 C5'-C4'-C3' 109.152 -4.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' ' G' . . . . . 0.452 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 111.083 2.883 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' ' A' . . . . . 0.557 " C2'" H5'' ' D' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.405 -3.981 1 C4'-C3'-C2' 98.222 -4.478 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' ' A' . . . . . 0.557 H5'' " C2'" ' D' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O5'-C5'-C4' 115.863 4.045 OUTLIER-EPSILON 0.011 7d . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 P-O3'-C3' 124.62 4.1 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 98.762 -3.938 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.292 -3.408 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.299 -3.401 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 98.999 -3.701 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.607 -3.093 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C4'-C3'-C2' 99.451 -3.249 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.817 -2.883 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_