data_5aht_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 5aht _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 ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.232 -0.655 . . . . 1.96 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 1.03 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 3.0 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.508 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.68000000000000005 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.56000000000000005 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.4500000000000002 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 1.4199999999999999 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 1.05 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 1.1299999999999999 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.82999999999999996 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.3400000000000001 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65000000000000002 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.9900000000000002 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.66000000000000003 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 2.21 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.64 ' HE1' ' CE2' ' A' ' 24' ' ' PHE . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 2.4900000000000002 111.09 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 1.1399999999999999 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.81999999999999995 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.508 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66000000000000003 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.96 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 3.02 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.6499999999999999 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 1.1399999999999999 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 1.24 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.68000000000000005 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.0099999999999998 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 119.201 -0.428 . . . . 1.96 110.286 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 1.03 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 3.0 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.68000000000000005 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.56000000000000005 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.4500000000000002 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 1.4199999999999999 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 3.48 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 1.05 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 1.1299999999999999 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.82999999999999996 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.3400000000000001 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65000000000000002 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.9900000000000002 110.379 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.66000000000000003 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 2.21 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 2.4900000000000002 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 1.1399999999999999 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG23 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.81999999999999995 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.533 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66000000000000003 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.96 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 3.02 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.6499999999999999 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 1.1399999999999999 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 1.24 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.68000000000000005 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.0099999999999998 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.629 -0.137 . . . . 1.96 110.629 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 1.03 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 3.0 111.81 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.68000000000000005 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.56000000000000005 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.4500000000000002 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 1.4199999999999999 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 3.48 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 1.05 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 1.1299999999999999 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.82999999999999996 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.3400000000000001 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65000000000000002 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.9900000000000002 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.66000000000000003 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 2.21 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 2.4900000000000002 111.107 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 1.1399999999999999 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.81999999999999995 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66000000000000003 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.96 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 3.02 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.6499999999999999 110.164 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 1.1399999999999999 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 1.24 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.68000000000000005 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.0099999999999998 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.157 -0.682 . . . . 1.96 109.157 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 1.03 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 3.0 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.68000000000000005 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.56000000000000005 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.4500000000000002 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 1.4199999999999999 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 3.48 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 1.05 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 1.1299999999999999 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.82999999999999996 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.3400000000000001 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65000000000000002 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.9900000000000002 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.66000000000000003 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 2.21 108.825 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 2.4900000000000002 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 1.1399999999999999 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.81999999999999995 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66000000000000003 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.96 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 3.02 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.6499999999999999 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 1.1399999999999999 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 1.24 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.68000000000000005 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.0099999999999998 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 22.0 t70 . . . . . 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.633 -0.506 . . . . 1.96 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 1.03 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 3.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.68000000000000005 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.56000000000000005 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.4500000000000002 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 1.4199999999999999 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 3.48 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 1.05 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB1' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 1.1299999999999999 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.82999999999999996 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.3400000000000001 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65000000000000002 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.9900000000000002 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.66000000000000003 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 2.21 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 2.4900000000000002 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.525 ' OD2' HG23 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.81999999999999995 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66000000000000003 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.96 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 3.02 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.6499999999999999 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 1.1399999999999999 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 1.24 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.68000000000000005 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.0099999999999998 108.621 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.751 -0.463 . . . . 1.96 109.751 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 1.03 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 3.0 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA3' HD22 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.68000000000000005 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.56000000000000005 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.4500000000000002 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 1.4199999999999999 110.41 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 3.48 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 1.05 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 1.1299999999999999 109.479 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.82999999999999996 113.853 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.3400000000000001 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65000000000000002 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.9900000000000002 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.66000000000000003 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 2.21 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.653 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 2.4900000000000002 111.095 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 1.1399999999999999 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.81999999999999995 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.456 HD22 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66000000000000003 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.96 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 3.02 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.6499999999999999 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 1.1399999999999999 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 1.24 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.68000000000000005 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.0099999999999998 108.708 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.884 -0.413 . . . . 1.96 109.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 1.03 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 3.0 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.68000000000000005 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.56000000000000005 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.4500000000000002 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 1.4199999999999999 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 3.48 110.187 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 1.05 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 1.1299999999999999 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.82999999999999996 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.3400000000000001 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65000000000000002 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.9900000000000002 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.66000000000000003 113.132 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 2.21 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 2.4900000000000002 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 1.1399999999999999 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.81999999999999995 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66000000000000003 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.96 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 3.02 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.6499999999999999 110.729 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 1.1399999999999999 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 1.24 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.68000000000000005 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.0099999999999998 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.529 0.204 . . . . 1.96 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 1.03 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 3.0 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.68000000000000005 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.56000000000000005 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.4500000000000002 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 1.4199999999999999 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 3.48 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 1.05 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 1.1299999999999999 109.954 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.82999999999999996 113.655 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.3400000000000001 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65000000000000002 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.9900000000000002 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.66000000000000003 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 2.21 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 2.4900000000000002 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 1.1399999999999999 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.81999999999999995 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66000000000000003 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.96 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 3.02 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.6499999999999999 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 1.1399999999999999 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 1.24 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.68000000000000005 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.0099999999999998 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.929 -0.397 . . . . 1.96 109.929 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 1.03 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 3.0 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.68000000000000005 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.56000000000000005 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.4500000000000002 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 1.4199999999999999 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 3.48 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 1.1299999999999999 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.82999999999999996 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.3400000000000001 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65000000000000002 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.9900000000000002 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.66000000000000003 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.456 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 2.21 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 2.4900000000000002 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 1.1399999999999999 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.81999999999999995 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.441 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66000000000000003 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.96 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 3.02 111.415 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.6499999999999999 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 1.1399999999999999 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 1.24 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.68000000000000005 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.0099999999999998 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.998 -0.371 . . . . 1.96 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 1.03 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 3.0 111.793 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.68000000000000005 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.56000000000000005 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.4500000000000002 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 1.4199999999999999 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 3.48 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 1.05 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 1.1299999999999999 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.82999999999999996 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.3400000000000001 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65000000000000002 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.9900000000000002 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.66000000000000003 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 2.21 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 2.4900000000000002 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 1.1399999999999999 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.81999999999999995 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66000000000000003 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.96 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 3.02 111.38 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.6499999999999999 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 1.1399999999999999 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 1.24 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.68000000000000005 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.0099999999999998 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 108.919 -0.771 . . . . 1.96 108.919 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 1.03 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 3.0 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.68000000000000005 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.56000000000000005 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.4500000000000002 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 1.4199999999999999 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 3.48 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 1.05 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 1.1299999999999999 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.82999999999999996 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.3400000000000001 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65000000000000002 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.9900000000000002 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.66000000000000003 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 2.21 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 2.4900000000000002 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 1.1399999999999999 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.81999999999999995 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66000000000000003 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.96 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 3.02 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.6499999999999999 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 1.1399999999999999 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 1.24 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.68000000000000005 108.802 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.0099999999999998 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.505 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.722 -0.473 . . . . 1.96 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 1.03 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 3.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.68000000000000005 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.56000000000000005 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.4500000000000002 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 1.4199999999999999 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 3.48 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 1.05 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 1.1299999999999999 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.82999999999999996 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.3400000000000001 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65000000000000002 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.9900000000000002 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.66000000000000003 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.628 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 2.21 108.576 171.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 2.4900000000000002 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 1.1399999999999999 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.81999999999999995 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66000000000000003 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.96 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 3.02 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.6499999999999999 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 1.1399999999999999 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 1.24 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.68000000000000005 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.0099999999999998 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.323 -0.251 . . . . 1.96 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 1.03 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 3.0 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.68000000000000005 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.56000000000000005 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.4500000000000002 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 1.4199999999999999 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 3.48 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 1.05 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 1.1299999999999999 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.82999999999999996 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.3400000000000001 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65000000000000002 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.9900000000000002 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.66000000000000003 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 2.21 108.481 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 2.4900000000000002 111.279 -169.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 1.1399999999999999 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.81999999999999995 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66000000000000003 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.437 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 3.02 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.6499999999999999 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 1.1399999999999999 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 1.24 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.68000000000000005 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.0099999999999998 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.028 -0.73 . . . . 1.96 109.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 1.03 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 3.0 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.68000000000000005 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.56000000000000005 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.4500000000000002 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 1.4199999999999999 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 3.48 110.168 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 1.05 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 1.1299999999999999 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.82999999999999996 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.3400000000000001 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65000000000000002 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.9900000000000002 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.66000000000000003 112.789 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 2.21 108.071 172.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.642 ' HD1' ' CD2' ' A' ' 24' ' ' PHE . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 2.4900000000000002 111.139 -172.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 1.1399999999999999 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.81999999999999995 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66000000000000003 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.96 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 3.02 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.6499999999999999 110.389 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 1.1399999999999999 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 1.24 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.68000000000000005 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.0099999999999998 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 1.03 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 3.0 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.68000000000000005 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.56000000000000005 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.4500000000000002 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 1.4199999999999999 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 3.48 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 1.05 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 1.1299999999999999 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.82999999999999996 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.3400000000000001 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65000000000000002 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.9900000000000002 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.66000000000000003 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.64 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 2.21 108.931 175.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.667 ' HD1' ' CD2' ' A' ' 24' ' ' PHE . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 2.4900000000000002 110.925 -173.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 1.1399999999999999 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.81999999999999995 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66000000000000003 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.54 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.96 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 3.02 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.6499999999999999 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 1.1399999999999999 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 1.24 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.68000000000000005 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.0099999999999998 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.063 -0.415 . . . . 9.0800000000000001 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -112.65 8.5 19.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.91 0.337 . . . . 6.4400000000000004 111.91 -175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mmm -72.44 -36.96 68.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.785 0.326 . . . . 9.8499999999999996 110.423 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 7' ' ' PHE . 11.7 pt-20 -82.34 -5.87 58.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.934 0.397 . . . . 8.2599999999999998 110.718 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -92.72 -8.34 44.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 5.4500000000000002 110.858 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.25 89.41 0.11 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.283 -0.961 . . . . 2.8199999999999998 112.88 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.633 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 94.5 m-85 -90.59 -33.82 15.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.515 0.674 . . . . 3.5699999999999998 109.676 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.86 169.71 6.07 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.795 -1.093 . . . . 1.96 109.232 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 1.03 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 3.0 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.68000000000000005 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.56000000000000005 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.4500000000000002 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 1.4199999999999999 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 1.05 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 1.1299999999999999 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.82999999999999996 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.3400000000000001 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65000000000000002 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.9900000000000002 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.66000000000000003 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 2.21 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.64 ' HE1' ' CE2' ' A' ' 24' ' ' PHE . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 2.4900000000000002 111.09 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 1.1399999999999999 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.81999999999999995 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.508 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66000000000000003 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.96 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 3.02 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.6499999999999999 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 1.1399999999999999 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 1.24 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.68000000000000005 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.0099999999999998 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.44 89.05 27.99 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.32 -18.65 46.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.815 2.343 . . . . 1.23 112.574 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -74.21 -22.16 59.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.517 . . . . 3.5 110.424 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.75 -9.69 48.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.6 -0.727 . . . . 2.0699999999999998 111.162 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.73 -45.14 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.21 -0.45 . . . . 2.5800000000000001 110.947 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.1 mm -84.33 113.0 45.8 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 2.6200000000000001 110.379 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.69 74.85 3.38 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.961 2.441 . . . . 3.1400000000000001 111.808 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.499 -0.762 . . . . 3.4100000000000001 110.45 -179.324 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.756 -0.538 . . . . 9.0800000000000001 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -93.15 91.41 7.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 6.4400000000000004 110.289 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 ttm -144.26 -62.83 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 9.8499999999999996 110.633 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.61 32.11 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 8.2599999999999998 110.861 -176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -124.32 145.47 49.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.822 -0.627 . . . . 5.4500000000000002 109.739 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.96 39.67 63.61 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.658 -0.977 . . . . 2.8199999999999998 110.658 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -88.16 -27.37 21.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.388 0.613 . . . . 3.5699999999999998 110.962 -174.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? -107.71 -179.7 0.74 Allowed Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.637 -0.711 . . . . 1.96 110.286 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 1.03 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 3.0 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.68000000000000005 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.56000000000000005 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.4500000000000002 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 1.4199999999999999 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 3.48 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 1.05 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 1.1299999999999999 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.82999999999999996 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.3400000000000001 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65000000000000002 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.9900000000000002 110.379 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.66000000000000003 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 2.21 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 2.4900000000000002 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 1.1399999999999999 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG23 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.81999999999999995 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.533 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66000000000000003 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.96 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 3.02 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.6499999999999999 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 1.1399999999999999 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 1.24 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.68000000000000005 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.0099999999999998 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 12.8 t70 -116.24 98.07 50.75 Favored Pre-proline 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.56 -22.06 70.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.798 2.332 . . . . 1.23 112.574 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 32.7 mmt180 -72.45 -26.58 61.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.1 0.476 . . . . 3.5 110.668 -175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.438 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 74.4 mt -75.76 -30.75 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 2.0699999999999998 111.583 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -36.82 9.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.102 0.477 . . . . 2.5800000000000001 110.558 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.2 mt -100.9 115.67 65.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.706 -0.679 . . . . 2.6200000000000001 109.644 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.43 51.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.804 2.336 . . . . 3.1400000000000001 112.564 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.65 -0.691 . . . . 3.4100000000000001 109.604 178.435 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.916 -0.473 . . . . 9.0800000000000001 111.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p 52.22 34.93 15.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.673 0.789 . . . . 6.4400000000000004 112.088 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.2 mmm -115.1 0.17 13.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 9.8499999999999996 111.211 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.85 17.9 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.059 0.457 . . . . 8.2599999999999998 110.31 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -99.3 -18.47 17.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 5.4500000000000002 109.694 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.28 -95.04 0.65 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.305 -0.861 . . . . 2.8199999999999998 112.689 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -119.0 -0.0 11.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.146 0.498 . . . . 3.5699999999999998 110.657 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.58 163.81 16.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.007 -0.542 . . . . 1.96 110.629 -174.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 1.03 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 3.0 111.81 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.68000000000000005 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.56000000000000005 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.4500000000000002 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 1.4199999999999999 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 3.48 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 1.05 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 1.1299999999999999 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.82999999999999996 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.3400000000000001 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65000000000000002 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.9900000000000002 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.66000000000000003 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 2.21 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 2.4900000000000002 111.107 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 1.1399999999999999 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.81999999999999995 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66000000000000003 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.96 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 3.02 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.6499999999999999 110.164 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 1.1399999999999999 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 1.24 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.68000000000000005 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.0099999999999998 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 3.9 t70 -132.65 97.99 16.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.7 -19.22 44.84 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.895 2.396 . . . . 1.23 112.536 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 45.0 mtm180 -75.45 -10.53 59.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.46 . . . . 3.5 110.733 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.17 -9.07 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.974 -0.557 . . . . 2.0699999999999998 111.674 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HG3' HG12 ' A' ' 41' ' ' ILE . 9.3 ptpp? -126.0 -29.94 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 2.5800000000000001 111.597 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG12 ' HG3' ' A' ' 40' ' ' LYS . 48.5 mm -100.68 126.92 33.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.695 -0.483 . . . . 2.6200000000000001 109.695 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.13 60.19 3.1 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.947 2.431 . . . . 3.1400000000000001 111.898 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.499 -0.762 . . . . 3.4100000000000001 110.137 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.798 -0.521 . . . . 9.0800000000000001 111.798 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m 60.88 50.77 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.182 0.515 . . . . 6.4400000000000004 110.204 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -78.99 -26.66 43.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.877 -0.602 . . . . 9.8499999999999996 110.836 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -109.0 59.37 0.6 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.589 . . . . 8.2599999999999998 111.279 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.76 -40.63 13.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.006 -0.739 . . . . 5.4500000000000002 109.006 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.51 29.82 0.21 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.614 -0.721 . . . . 2.8199999999999998 111.82 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 74.4 m-85 66.13 -65.83 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.524 0.729 . . . . 3.5699999999999998 111.373 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? -94.82 175.29 2.96 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.104 -0.953 . . . . 1.96 109.157 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 1.03 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 3.0 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.68000000000000005 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.56000000000000005 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.4500000000000002 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 1.4199999999999999 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 3.48 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 1.05 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 1.1299999999999999 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.82999999999999996 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.3400000000000001 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65000000000000002 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.9900000000000002 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.66000000000000003 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 2.21 108.825 173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 2.4900000000000002 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 1.1399999999999999 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.81999999999999995 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66000000000000003 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.96 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 3.02 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.6499999999999999 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 1.1399999999999999 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 1.24 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.68000000000000005 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.0099999999999998 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' OD2' ' HG ' ' A' ' 39' ' ' LEU . 22.0 t70 -67.74 110.8 6.01 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.73 -17.81 47.6 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.8 2.334 . . . . 1.23 112.415 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 47.5 mtt180 -70.08 -28.26 65.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.229 0.538 . . . . 3.5 110.199 -177.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.548 ' HG ' ' OD2' ' A' ' 36' ' ' ASP . 82.8 mt -75.58 -23.06 56.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.476 -0.784 . . . . 2.0699999999999998 110.73 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -101.96 -38.75 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.545 . . . . 2.5800000000000001 110.586 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.86 104.79 55.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.632 -0.713 . . . . 2.6200000000000001 110.214 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.41 101.25 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.888 2.392 . . . . 3.1400000000000001 111.681 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.555 -0.736 . . . . 3.4100000000000001 110.478 179.052 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.066 -0.414 . . . . 9.0800000000000001 112.066 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 3' ' ' MET . 45.3 m -133.85 161.58 34.37 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.811 -0.229 . . . . 6.4400000000000004 110.692 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 2' ' ' SER . 21.7 ptt? 54.27 18.14 1.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.613 1.165 . . . . 9.8499999999999996 112.334 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -112.76 -2.01 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.43 0.633 . . . . 8.2599999999999998 109.628 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.59 168.29 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 5.4500000000000002 109.509 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.8 -91.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.399 -0.68 . . . . 2.8199999999999998 111.399 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.44 -30.57 14.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.839 -0.8 . . . . 3.5699999999999998 108.839 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.94 166.92 12.19 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 114.575 -1.193 . . . . 1.96 109.633 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 1.03 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 3.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.68000000000000005 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.56000000000000005 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.4500000000000002 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 1.4199999999999999 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 3.48 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 1.05 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB1' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 1.1299999999999999 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.82999999999999996 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.3400000000000001 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65000000000000002 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.9900000000000002 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.66000000000000003 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 2.21 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 2.4900000000000002 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.525 ' OD2' HG23 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.81999999999999995 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66000000000000003 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.96 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 3.02 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.6499999999999999 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 1.1399999999999999 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 1.24 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.68000000000000005 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.562 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.0099999999999998 108.621 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -87.92 106.46 12.04 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.9 Cg_exo -67.93 -18.6 46.65 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.987 2.458 . . . . 1.23 112.358 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.27 -17.87 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 3.5 110.406 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.75 -9.17 59.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 2.0699999999999998 110.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -114.66 -48.2 2.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.794 -0.639 . . . . 2.5800000000000001 109.449 177.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.98 109.29 19.64 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.349 -0.842 . . . . 2.6200000000000001 109.28 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.93 95.26 0.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.825 2.35 . . . . 3.1400000000000001 112.66 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.571 -0.728 . . . . 3.4100000000000001 110.258 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.872 -0.491 . . . . 9.0800000000000001 111.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p 58.46 156.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.415 1.086 . . . . 6.4400000000000004 112.845 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.7 mtp 68.85 0.8 2.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.523 -0.762 . . . . 9.8499999999999996 111.412 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 34.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.625 0.726 . . . . 8.2599999999999998 110.426 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.54 60.59 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.094 -0.957 . . . . 5.4500000000000002 110.027 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.54 -18.64 15.14 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.463 -0.875 . . . . 2.8199999999999998 111.751 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.87 -35.33 80.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.479 0.657 . . . . 3.5699999999999998 109.804 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt -130.82 176.45 2.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.087 -0.96 . . . . 1.96 109.751 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 1.03 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 3.0 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA3' HD22 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.68000000000000005 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.54 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.56000000000000005 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.4500000000000002 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 1.4199999999999999 110.41 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 3.48 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 1.05 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 1.1299999999999999 109.479 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.82999999999999996 113.853 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.3400000000000001 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65000000000000002 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.9900000000000002 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.66000000000000003 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 2.21 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.653 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 2.4900000000000002 111.095 -171.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 1.1399999999999999 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.81999999999999995 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.456 HD22 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66000000000000003 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.96 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 3.02 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.6499999999999999 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 1.1399999999999999 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 1.24 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.68000000000000005 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.0099999999999998 108.708 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 8.7 t70 -91.94 101.39 4.57 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.2 Cg_exo -68.56 -16.96 43.3 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.886 2.391 . . . . 1.23 112.513 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -75.24 -28.11 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.429 0.633 . . . . 3.5 110.076 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 72.0 mt -75.95 -31.69 59.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.31 -0.859 . . . . 2.0699999999999998 110.478 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.03 -44.3 13.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.071 -0.513 . . . . 2.5800000000000001 110.765 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.83 107.68 44.71 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.032 -0.531 . . . . 2.6200000000000001 110.268 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.64 72.26 5.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.762 2.308 . . . . 3.1400000000000001 111.933 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.683 -0.675 . . . . 3.4100000000000001 110.449 -179.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.833 -0.507 . . . . 9.0800000000000001 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -81.13 50.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 6.4400000000000004 111.393 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.412 ' HE1' ' OE1' ' A' ' 5' ' ' GLN . 14.5 ptt? -86.71 65.22 8.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.162 -0.472 . . . . 9.8499999999999996 110.162 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 41.03 58.44 2.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.007 -0.997 . . . . 8.2599999999999998 112.334 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' OE1' ' HE1' ' A' ' 3' ' ' MET . 11.9 pt20 -140.84 154.95 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 5.4500000000000002 110.982 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.56 -57.16 0.73 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.624 -0.798 . . . . 2.8199999999999998 112.613 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -84.02 -39.52 19.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 3.5699999999999998 109.989 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.56 160.81 28.66 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.579 -0.737 . . . . 1.96 109.884 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 1.03 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 3.0 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.68000000000000005 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.56000000000000005 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.4500000000000002 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 1.4199999999999999 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 3.48 110.187 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 1.05 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 1.1299999999999999 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.82999999999999996 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.3400000000000001 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65000000000000002 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.9900000000000002 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.66000000000000003 113.132 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 2.21 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 2.4900000000000002 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 1.1399999999999999 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.81999999999999995 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66000000000000003 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.96 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 3.02 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.6499999999999999 110.729 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 1.1399999999999999 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 1.24 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.68000000000000005 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.0099999999999998 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -80.47 118.3 71.79 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.05 -19.05 45.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.848 2.365 . . . . 1.23 112.667 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -72.55 -17.81 61.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.359 0.6 . . . . 3.5 110.189 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.95 -17.47 35.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.275 -0.875 . . . . 2.0699999999999998 110.343 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -105.25 -48.9 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 2.5800000000000001 110.888 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.31 120.42 70.48 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 2.6200000000000001 110.628 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.87 40.58 0.95 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.179 2.586 . . . . 3.1400000000000001 112.711 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.474 -0.774 . . . . 3.4100000000000001 110.064 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.894 -0.482 . . . . 9.0800000000000001 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.79 62.82 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.309 0.576 . . . . 6.4400000000000004 111.107 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.37 160.38 39.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.373 -0.83 . . . . 9.8499999999999996 108.833 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.26 115.09 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.238 0.542 . . . . 8.2599999999999998 110.927 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -85.76 153.21 22.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.67 -0.695 . . . . 5.4500000000000002 110.512 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 7' ' ' PHE . . . -148.78 174.37 28.44 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.87 -0.681 . . . . 2.8199999999999998 111.735 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.655 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 43.0 m-85 74.96 -60.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.479 0.712 . . . . 3.5699999999999998 111.26 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? -113.22 133.4 22.09 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 116.447 -0.342 . . . . 1.96 110.904 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 1.03 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 3.0 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.68000000000000005 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.56000000000000005 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.4500000000000002 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 1.4199999999999999 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 3.48 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 1.05 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 1.1299999999999999 109.954 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.82999999999999996 113.655 -178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.3400000000000001 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65000000000000002 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.9900000000000002 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.66000000000000003 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 2.21 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 2.4900000000000002 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 1.1399999999999999 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.81999999999999995 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66000000000000003 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.96 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 3.02 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.6499999999999999 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 1.1399999999999999 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 1.24 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.68000000000000005 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.0099999999999998 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.74 92.85 31.18 Favored Pre-proline 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.79 -15.99 52.16 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.019 2.479 . . . . 1.23 112.821 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -69.46 -30.73 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.25 0.548 . . . . 3.5 110.201 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.85 -16.69 54.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.397 -0.82 . . . . 2.0699999999999998 110.861 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -103.67 -48.93 3.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.783 -0.644 . . . . 2.5800000000000001 110.42 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.07 131.44 22.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.72 . . . . 2.6200000000000001 110.267 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.23 71.73 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.676 2.251 . . . . 3.1400000000000001 111.991 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.946 -0.55 . . . . 3.4100000000000001 110.596 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.879 -0.488 . . . . 9.0800000000000001 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -116.86 27.84 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.764 0.316 . . . . 6.4400000000000004 110.795 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -44.04 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 9.8499999999999996 109.915 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -80.55 -19.19 46.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 8.2599999999999998 109.999 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -78.25 -12.22 59.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.69 -0.686 . . . . 5.4500000000000002 109.587 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 1.47 59.36 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.34 -0.845 . . . . 2.8199999999999998 111.433 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.64 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 54.9 t80 -75.87 -18.07 59.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.594 0.712 . . . . 3.5699999999999998 109.682 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -136.09 170.82 10.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 1.96 109.929 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 1.03 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 3.0 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.68000000000000005 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.56000000000000005 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.4500000000000002 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 1.4199999999999999 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 3.48 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 1.1299999999999999 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.82999999999999996 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.3400000000000001 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65000000000000002 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.9900000000000002 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.66000000000000003 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 2.21 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 2.4900000000000002 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 1.1399999999999999 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.81999999999999995 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.441 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66000000000000003 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.96 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 3.02 111.415 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.6499999999999999 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 1.1399999999999999 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 1.24 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.68000000000000005 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.0099999999999998 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.51 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 10.7 t70 -119.22 94.06 47.83 Favored Pre-proline 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.18 -15.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.966 2.444 . . . . 1.23 112.78 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -80.95 -31.44 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.103 0.478 . . . . 3.5 110.428 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 70.2 mt -76.03 -16.7 59.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 2.0699999999999998 110.532 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.24 -38.8 7.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.55 -0.75 . . . . 2.5800000000000001 110.499 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.15 123.47 27.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 2.6200000000000001 110.383 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.32 83.6 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.645 2.23 . . . . 3.1400000000000001 111.944 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.623 -0.703 . . . . 3.4100000000000001 110.656 -179.368 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.132 -0.387 . . . . 9.0800000000000001 112.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m 57.45 52.72 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.345 0.593 . . . . 6.4400000000000004 111.419 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.436 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 65.3 mtt -130.94 16.71 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.639 . . . . 9.8499999999999996 109.525 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -105.72 1.12 26.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.37 -0.832 . . . . 8.2599999999999998 111.287 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.92 19.97 17.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.079 -0.51 . . . . 5.4500000000000002 110.429 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.82 172.7 23.91 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.831 -0.7 . . . . 2.8199999999999998 112.483 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 36.0 t80 -80.12 -19.12 48.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.337 0.589 . . . . 3.5699999999999998 109.904 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt -126.47 175.0 3.55 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.269 -0.878 . . . . 1.96 109.998 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 1.03 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 3.0 111.793 -176.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.68000000000000005 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.56000000000000005 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.4500000000000002 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 1.4199999999999999 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 3.48 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 1.05 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 1.1299999999999999 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.82999999999999996 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.3400000000000001 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65000000000000002 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.9900000000000002 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.66000000000000003 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 2.21 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 2.4900000000000002 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 1.1399999999999999 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.81999999999999995 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66000000000000003 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.96 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 3.02 111.38 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.6499999999999999 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 1.1399999999999999 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 1.24 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.68000000000000005 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.0099999999999998 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -70.08 112.24 11.88 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.39 -17.33 49.25 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.4 2.067 . . . . 1.23 112.008 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -83.07 -10.79 58.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.999 -0.546 . . . . 3.5 110.221 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -91.56 -24.82 19.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 2.0699999999999998 110.572 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 4.1 mptp? -98.1 -38.71 9.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 2.5800000000000001 110.077 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -98.09 136.61 20.96 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.488 -0.778 . . . . 2.6200000000000001 108.94 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.35 72.11 0.4 Allowed 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.506 2.137 . . . . 3.1400000000000001 112.421 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.465 -0.779 . . . . 3.4100000000000001 110.425 179.583 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.088 -0.405 . . . . 9.0800000000000001 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -131.1 116.1 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.164 0.507 . . . . 6.4400000000000004 110.701 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.26 -21.74 61.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.06 -0.518 . . . . 9.8499999999999996 110.795 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.16 -26.91 65.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.548 -0.296 . . . . 8.2599999999999998 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.11 -13.37 33.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 5.4500000000000002 110.066 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.94 31.44 5.69 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.361 -0.836 . . . . 2.8199999999999998 111.193 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.74 -39.5 76.74 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.957 -0.757 . . . . 3.5699999999999998 108.957 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -112.26 156.98 41.23 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.798 -1.092 . . . . 1.96 108.919 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 1.03 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 3.0 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.68000000000000005 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.56000000000000005 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.4500000000000002 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 1.4199999999999999 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 3.48 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 1.05 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 1.1299999999999999 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.82999999999999996 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.3400000000000001 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65000000000000002 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.9900000000000002 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.66000000000000003 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 2.21 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 2.4900000000000002 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 1.1399999999999999 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.45 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.81999999999999995 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66000000000000003 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.96 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 3.02 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.6499999999999999 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 1.1399999999999999 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 1.24 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.68000000000000005 108.802 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.0099999999999998 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.505 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 -68.08 109.51 4.07 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.37 -22.07 73.57 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.936 2.424 . . . . 1.23 112.391 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 60.4 mtm180 -73.95 -16.16 61.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 3.5 110.74 -177.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.41 -10.0 57.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.896 -0.593 . . . . 2.0699999999999998 110.479 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -116.39 -54.14 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 2.5800000000000001 109.732 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.16 113.52 63.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.933 -1.03 . . . . 2.6200000000000001 110.127 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.33 110.24 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.787 2.325 . . . . 3.1400000000000001 112.05 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.538 -0.744 . . . . 3.4100000000000001 110.089 178.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.088 -0.405 . . . . 9.0800000000000001 112.088 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 58.34 31.31 20.73 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.106 0.479 . . . . 6.4400000000000004 111.481 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm -107.99 -4.57 17.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 9.8499999999999996 109.305 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 10' ' ' LYS . 8.8 pt-20 -110.09 10.96 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.445 -0.798 . . . . 8.2599999999999998 111.29 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.27 174.2 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.707 0.289 . . . . 5.4500000000000002 111.199 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.63 -70.87 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.139 -0.784 . . . . 2.8199999999999998 111.139 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 69.9 m-85 -109.38 -57.32 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.336 -0.616 . . . . 3.5699999999999998 109.336 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 7' ' ' PHE . 4.0 mm? -122.25 158.56 55.32 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.254 -0.884 . . . . 1.96 109.722 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 1.03 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 3.0 110.779 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.68000000000000005 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.56000000000000005 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.4500000000000002 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 1.4199999999999999 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 3.48 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 1.05 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 1.1299999999999999 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.82999999999999996 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.3400000000000001 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65000000000000002 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.9900000000000002 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.66000000000000003 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.628 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 2.21 108.576 171.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 2.4900000000000002 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 1.1399999999999999 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.81999999999999995 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66000000000000003 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.96 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 3.02 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.6499999999999999 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 1.1399999999999999 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 1.24 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.68000000000000005 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.0099999999999998 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -80.93 107.85 8.61 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.66 -16.03 45.81 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.529 2.153 . . . . 1.23 111.951 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -82.62 -15.31 52.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.866 -0.606 . . . . 3.5 110.211 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -89.29 -19.28 25.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.776 . . . . 2.0699999999999998 110.04 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.79 -51.86 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.964 -0.754 . . . . 2.5800000000000001 108.964 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -113.22 104.96 55.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.168 -0.923 . . . . 2.6200000000000001 109.485 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.08 121.6 10.19 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.996 2.464 . . . . 3.1400000000000001 112.244 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.595 -0.717 . . . . 3.4100000000000001 110.264 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.796 -0.522 . . . . 9.0800000000000001 111.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -79.95 58.99 3.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.066 0.46 . . . . 6.4400000000000004 112.129 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 mmt -99.22 110.04 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.704 -0.48 . . . . 9.8499999999999996 109.704 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 59.01 32.03 21.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 8.2599999999999998 110.811 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.89 -27.58 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.513 -0.767 . . . . 5.4500000000000002 108.992 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.93 138.58 14.91 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.073 -0.967 . . . . 2.8199999999999998 111.344 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.91 -18.89 31.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.599 0.714 . . . . 3.5699999999999998 109.686 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt -118.59 178.47 1.05 Allowed Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 1.96 110.323 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 1.03 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 3.0 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.68000000000000005 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.56000000000000005 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.4500000000000002 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 1.4199999999999999 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 3.48 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 1.05 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 1.1299999999999999 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.82999999999999996 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.3400000000000001 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65000000000000002 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.9900000000000002 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.66000000000000003 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 2.21 108.481 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 2.4900000000000002 111.279 -169.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 1.1399999999999999 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.81999999999999995 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66000000000000003 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.437 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 3.02 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.6499999999999999 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 1.1399999999999999 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 1.24 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.68000000000000005 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.0099999999999998 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 14.1 t70 -66.67 110.22 4.6 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.37 -15.7 42.5 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.807 2.338 . . . . 1.23 112.472 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 19.1 mtp180 -78.64 -21.64 48.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.339 0.59 . . . . 3.5 109.896 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 89.2 mt -78.45 -17.76 55.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.389 -0.823 . . . . 2.0699999999999998 110.79 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.89 -48.29 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 2.5800000000000001 110.503 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.04 132.37 30.98 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.535 -0.757 . . . . 2.6200000000000001 109.75 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.79 67.08 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.063 2.508 . . . . 3.1400000000000001 112.434 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.609 -0.71 . . . . 3.4100000000000001 109.887 178.712 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.046 -0.422 . . . . 9.0800000000000001 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m 55.78 45.04 25.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.263 0.554 . . . . 6.4400000000000004 111.004 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -115.89 66.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 9.8499999999999996 110.316 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 59.33 51.66 6.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.91 -1.041 . . . . 8.2599999999999998 111.028 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.26 12.02 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.436 -0.802 . . . . 5.4500000000000002 111.085 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.45 -44.4 0.99 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.17 -0.538 . . . . 2.8199999999999998 111.861 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.14 -39.02 93.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.285 0.564 . . . . 3.5699999999999998 109.569 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? -118.37 170.83 5.86 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.126 -0.943 . . . . 1.96 109.028 173.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 1.03 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 3.0 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.68000000000000005 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.56000000000000005 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.4500000000000002 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 1.4199999999999999 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 3.48 110.168 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 1.05 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 1.1299999999999999 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.82999999999999996 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.3400000000000001 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65000000000000002 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.9900000000000002 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.66000000000000003 112.789 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 23' ' ' PHE . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 2.21 108.071 172.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.642 ' HD1' ' CD2' ' A' ' 24' ' ' PHE . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 2.4900000000000002 111.139 -172.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 1.1399999999999999 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.81999999999999995 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.405 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66000000000000003 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.96 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 3.02 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.6499999999999999 110.389 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 1.1399999999999999 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 1.24 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.68000000000000005 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.0099999999999998 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -121.53 97.09 47.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -63.95 -17.01 58.13 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.094 2.529 . . . . 1.23 112.66 -177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -79.59 -20.51 46.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.996 0.427 . . . . 3.5 110.541 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.6 -25.18 41.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 2.0699999999999998 110.49 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -97.12 -42.71 7.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.807 -0.633 . . . . 2.5800000000000001 110.443 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.8 mt -115.23 104.28 53.75 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.722 -0.672 . . . . 2.6200000000000001 110.445 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.65 46.47 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.217 2.611 . . . . 3.1400000000000001 112.12 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.345 -0.836 . . . . 3.4100000000000001 110.458 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.695 -0.562 . . . . 9.0800000000000001 111.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -133.02 32.97 3.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.501 . . . . 6.4400000000000004 110.127 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.446 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -56.75 113.43 1.64 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.812 -0.631 . . . . 9.8499999999999996 110.073 177.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 44.02 34.44 0.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.011 -0.995 . . . . 8.2599999999999998 112.318 -173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 3' ' ' MET . 75.0 mt-30 -110.48 13.13 22.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.355 0.598 . . . . 5.4500000000000002 109.633 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.91 -5.47 6.93 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.552 -0.749 . . . . 2.8199999999999998 111.465 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 30.4 t80 76.36 -49.57 0.58 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.823 0.849 . . . . 3.5699999999999998 110.647 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.71 162.27 23.75 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 176.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 1.03 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 3.0 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.68000000000000005 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.56000000000000005 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.4500000000000002 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 1.4199999999999999 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 3.48 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 1.05 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 1.1299999999999999 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.82999999999999996 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.3400000000000001 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65000000000000002 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.9900000000000002 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.66000000000000003 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.64 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 2.21 108.931 175.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.667 ' HD1' ' CD2' ' A' ' 24' ' ' PHE . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 2.4900000000000002 110.925 -173.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 1.1399999999999999 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.81999999999999995 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66000000000000003 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.54 HG23 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.96 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 3.02 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.6499999999999999 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 1.1399999999999999 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 1.24 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.68000000000000005 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.0099999999999998 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.19 112.43 7.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.716 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 27.8 Cg_exo -63.75 -15.88 51.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.038 2.492 . . . . 1.23 113.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' PHE . 73.1 mtm180 -84.99 -43.29 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.245 0.545 . . . . 3.5 110.125 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -88.99 -35.12 16.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.259 -0.882 . . . . 2.0699999999999998 111.933 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -90.96 -28.76 17.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 2.5800000000000001 110.879 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.716 ' HB ' ' O ' ' A' ' 37' ' ' PRO . 62.1 mt -107.57 133.93 20.21 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.713 -0.676 . . . . 2.6200000000000001 109.458 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.88 68.24 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.744 2.296 . . . . 3.1400000000000001 112.185 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.723 -0.656 . . . . 3.4100000000000001 110.002 177.161 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.232 -0.655 . . . . 1.36 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 0.89 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 2.59 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.59 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.51 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.45 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.79 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 2.74 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 0.86 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.76 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.1 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.43 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.57 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 1.28 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 1.57 111.09 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 0.38 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.69 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 2.53 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.27 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 0.52 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 0.7 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.59 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.01 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 119.201 -0.428 . . . . 1.36 110.286 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 0.89 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 2.59 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.539 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.59 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.51 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.45 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 0.79 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 2.74 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 0.86 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 0.46 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.76 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.1 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 21' ' ' ARG . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.43 110.379 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.57 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 1.28 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 1.57 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 0.38 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.69 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.539 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.42 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 2.53 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.27 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 0.7 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.59 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.01 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.629 -0.137 . . . . 1.36 110.629 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 0.89 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 2.59 111.81 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.59 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.51 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.45 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.79 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 2.74 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.86 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 0.46 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.76 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.1 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.43 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.57 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 1.28 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 1.57 111.107 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 0.38 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' HB3' HG22 ' A' ' 31' ' ' THR . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.69 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.42 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 2.53 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.27 110.164 178.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 0.52 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 0.7 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.59 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.01 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.157 -0.682 . . . . 1.36 109.157 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 0.89 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 2.59 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.59 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.51 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.45 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 0.79 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 2.74 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 0.86 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 0.46 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.76 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.1 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.43 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.57 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 1.28 108.825 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 1.57 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 0.38 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.69 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 2.53 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.27 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 0.52 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.7 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.59 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.01 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 22.0 t70 . . . . . 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.633 -0.506 . . . . 1.36 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 0.89 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 2.59 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.59 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.51 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.45 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 0.79 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 2.74 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 0.86 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 0.46 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.76 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.1 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.43 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.57 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 1.28 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 1.57 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 0.38 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.534 ' OD2' HG22 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.69 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.42 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 2.53 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.27 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 0.52 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 0.7 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.59 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.01 108.621 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.751 -0.463 . . . . 1.36 109.751 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 0.89 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 2.59 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' HA3' HD21 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.51 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.45 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' A' ' 8' ' ' LEU . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.79 110.41 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 2.74 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 0.86 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 0.46 109.479 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.76 113.853 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.1 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.43 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.57 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 1.28 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 1.57 111.095 -171.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 0.38 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.69 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.479 HD21 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.42 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 2.53 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.27 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 0.52 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 0.7 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.59 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.01 108.708 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.884 -0.413 . . . . 1.36 109.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.89 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.59 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.51 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.45 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 0.79 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 2.74 110.187 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 0.86 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.46 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.76 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.1 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.43 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.57 113.132 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 1.57 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 0.38 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.69 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 2.53 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.729 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.52 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 0.7 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.59 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.01 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.529 0.204 . . . . 1.36 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 0.89 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 2.59 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.59 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.51 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.45 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 0.79 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 2.74 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 0.86 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 0.46 109.954 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.76 113.655 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.1 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.43 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.57 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 1.28 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 1.57 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 0.38 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.69 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.42 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 2.53 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 0.52 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 0.7 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.59 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.01 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.929 -0.397 . . . . 1.36 109.929 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 0.89 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 2.59 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.59 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.51 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.45 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.79 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 2.74 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 0.86 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 0.46 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.76 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.1 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.43 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.57 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 1.57 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 0.38 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.69 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.42 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 2.53 111.415 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.27 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 0.52 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 0.7 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.59 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.01 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.998 -0.371 . . . . 1.36 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 0.89 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 2.59 111.793 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.59 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.51 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.45 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 0.79 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 2.74 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 0.46 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.76 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.1 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.43 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.57 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 1.28 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' HD1' HD11 ' A' ' 8' ' ' LEU . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 1.57 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 0.38 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.69 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.42 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 2.53 111.38 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.27 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 0.52 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 0.7 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.59 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.01 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 108.919 -0.771 . . . . 1.36 108.919 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 0.89 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 2.59 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.59 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.51 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.45 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 2.74 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 0.86 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.76 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.1 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.43 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.57 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 1.28 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 1.57 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 0.38 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.69 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.42 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 2.53 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.27 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.7 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 23' ' ' PHE . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.59 108.802 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.01 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.722 -0.473 . . . . 1.36 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 0.89 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 2.59 110.779 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.59 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.51 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.45 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 0.79 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 2.74 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 0.46 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.76 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.1 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.43 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.57 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 1.28 108.576 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 1.57 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 0.38 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.69 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.42 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 2.53 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.27 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 0.52 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 0.7 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.59 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.01 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.323 -0.251 . . . . 1.36 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 0.89 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 2.59 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.59 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.51 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.45 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.79 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 2.74 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 0.86 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 0.46 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.76 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.1 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.43 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.57 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 15' ' ' ARG . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 1.28 108.481 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 1.57 111.279 -169.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 0.38 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.69 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.42 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 2.53 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 0.52 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 0.7 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.59 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.01 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.028 -0.73 . . . . 1.36 109.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 0.89 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 2.59 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.416 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.59 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.51 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.45 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 0.79 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 2.74 110.168 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 0.86 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.76 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.1 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.43 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.57 112.789 177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 1.28 108.071 172.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 1.57 111.139 -172.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.38 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.69 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.42 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 2.53 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 26' ' ' ASP . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.27 110.389 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.52 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 0.7 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.59 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.01 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.293 -0.632 . . . . 1.36 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 0.89 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 2.59 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.59 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.51 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.45 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 0.79 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 2.74 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 0.86 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.46 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.76 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.1 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.43 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.57 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 1.28 108.931 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 1.57 110.925 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 0.38 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' OD2' HG22 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.69 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.42 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 2.53 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.27 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 0.52 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 0.7 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.59 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.01 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.063 -0.415 . . . . 8.64 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -112.65 8.5 19.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.91 0.337 . . . . 6.19 111.91 -175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mmm -72.44 -36.96 68.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.785 0.326 . . . . 9.51 110.423 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 7' ' ' PHE . 11.7 pt-20 -82.34 -5.87 58.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.934 0.397 . . . . 8.26 110.718 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -92.72 -8.34 44.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 5.02 110.858 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.25 89.41 0.11 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.283 -0.961 . . . . 2.27 112.88 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 4' ' ' GLU . 94.5 m-85 -90.59 -33.82 15.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.515 0.674 . . . . 2.85 109.676 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.86 169.71 6.07 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.795 -1.093 . . . . 1.36 109.232 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 0.89 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 2.59 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.59 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.51 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.45 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.79 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 2.74 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 0.86 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.76 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.1 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.43 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.57 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 1.28 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 1.57 111.09 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 0.38 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.69 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 2.53 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.27 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 0.52 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 0.7 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.59 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.01 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.44 89.05 27.99 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.32 -18.65 46.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.815 2.343 . . . . 0.9 112.574 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -74.21 -22.16 59.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.517 . . . . 3.06 110.424 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.75 -9.69 48.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.6 -0.727 . . . . 1.53 111.162 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -114.73 -45.14 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.21 -0.45 . . . . 2.18 110.947 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.1 mm -84.33 113.0 45.8 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 2.15 110.379 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.69 74.85 3.38 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.961 2.441 . . . . 2.78 111.808 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.499 -0.762 . . . . 3.41 110.45 -179.324 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.756 -0.538 . . . . 8.64 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -93.15 91.41 7.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 6.19 110.289 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 ttm -144.26 -62.83 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 9.51 110.633 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.61 32.11 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 8.26 110.861 -176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -124.32 145.47 49.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.822 -0.627 . . . . 5.02 109.739 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.96 39.67 63.61 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.658 -0.977 . . . . 2.27 110.658 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -88.16 -27.37 21.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.388 0.613 . . . . 2.85 110.962 -174.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? -107.71 -179.7 0.74 Allowed Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.637 -0.711 . . . . 1.36 110.286 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 0.89 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 2.59 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.539 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.59 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.51 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.45 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 0.79 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 2.74 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 0.86 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 0.46 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.76 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.1 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 21' ' ' ARG . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.43 110.379 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.57 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 1.28 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 1.57 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 0.38 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.69 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.539 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.42 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 2.53 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.27 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 0.7 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.59 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.01 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 12.8 t70 -116.24 98.07 50.75 Favored Pre-proline 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.56 -22.06 70.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.798 2.332 . . . . 0.9 112.574 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 32.7 mmt180 -72.45 -26.58 61.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.1 0.476 . . . . 3.06 110.668 -175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 74.4 mt -75.76 -30.75 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 1.53 111.583 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -36.82 9.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.102 0.477 . . . . 2.18 110.558 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.2 mt -100.9 115.67 65.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.706 -0.679 . . . . 2.15 109.644 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.43 51.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.804 2.336 . . . . 2.78 112.564 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.65 -0.691 . . . . 3.41 109.604 178.435 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.916 -0.473 . . . . 8.64 111.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p 52.22 34.93 15.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.673 0.789 . . . . 6.19 112.088 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.2 mmm -115.1 0.17 13.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 9.51 111.211 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.85 17.9 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.059 0.457 . . . . 8.26 110.31 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 56.0 mm-40 -99.3 -18.47 17.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 5.02 109.694 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.28 -95.04 0.65 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.305 -0.861 . . . . 2.27 112.689 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -119.0 -0.0 11.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.146 0.498 . . . . 2.85 110.657 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.58 163.81 16.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.007 -0.542 . . . . 1.36 110.629 -174.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 0.89 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HA ' ' CD ' ' A' ' 5' ' ' GLN . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 2.59 111.81 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.59 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.51 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.45 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.79 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 2.74 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.86 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 0.46 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.76 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.1 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.43 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.57 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 1.28 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 1.57 111.107 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 0.38 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' HB3' HG22 ' A' ' 31' ' ' THR . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.69 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.42 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 2.53 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.27 110.164 178.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 0.52 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 0.7 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.59 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.01 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 3.9 t70 -132.65 97.99 16.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.7 -19.22 44.84 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.895 2.396 . . . . 0.9 112.536 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 45.0 mtm180 -75.45 -10.53 59.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.46 . . . . 3.06 110.733 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.17 -9.07 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.974 -0.557 . . . . 1.53 111.674 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 41' ' ' ILE . 9.3 ptpp? -126.0 -29.94 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 2.18 111.597 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 40' ' ' LYS . 48.5 mm -100.68 126.92 33.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.695 -0.483 . . . . 2.15 109.695 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.13 60.19 3.1 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.947 2.431 . . . . 2.78 111.898 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.499 -0.762 . . . . 3.41 110.137 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.798 -0.521 . . . . 8.64 111.798 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m 60.88 50.77 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.182 0.515 . . . . 6.19 110.204 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -78.99 -26.66 43.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.877 -0.602 . . . . 9.51 110.836 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -109.0 59.37 0.6 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.589 . . . . 8.26 111.279 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.76 -40.63 13.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.006 -0.739 . . . . 5.02 109.006 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.51 29.82 0.21 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.614 -0.721 . . . . 2.27 111.82 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 66.13 -65.83 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.524 0.729 . . . . 2.85 111.373 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? -94.82 175.29 2.96 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.104 -0.953 . . . . 1.36 109.157 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 0.89 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 2.59 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.59 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.51 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.45 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 0.79 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 2.74 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 0.86 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 0.46 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.76 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.1 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.43 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.57 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 1.28 108.825 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 1.57 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 0.38 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.69 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 2.53 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.27 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 0.52 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.7 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.59 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.01 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.556 ' OD2' ' HG ' ' A' ' 39' ' ' LEU . 22.0 t70 -67.74 110.8 6.01 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.73 -17.81 47.6 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.8 2.334 . . . . 0.9 112.415 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 47.5 mtt180 -70.08 -28.26 65.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.229 0.538 . . . . 3.06 110.199 -177.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HG ' ' OD2' ' A' ' 36' ' ' ASP . 82.8 mt -75.58 -23.06 56.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.476 -0.784 . . . . 1.53 110.73 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -101.96 -38.75 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.545 . . . . 2.18 110.586 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.86 104.79 55.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.632 -0.713 . . . . 2.15 110.214 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.41 101.25 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.888 2.392 . . . . 2.78 111.681 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.555 -0.736 . . . . 3.41 110.478 179.052 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.066 -0.414 . . . . 8.64 112.066 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 3' ' ' MET . 45.3 m -133.85 161.58 34.37 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.811 -0.229 . . . . 6.19 110.692 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 2' ' ' SER . 21.7 ptt? 54.27 18.14 1.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.613 1.165 . . . . 9.51 112.334 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -112.76 -2.01 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.43 0.633 . . . . 8.26 109.628 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.59 168.29 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 5.02 109.509 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.8 -91.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.399 -0.68 . . . . 2.27 111.399 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.44 -30.57 14.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.839 -0.8 . . . . 2.85 108.839 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 37' ' ' PRO . 3.6 mm? -98.94 166.92 12.19 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 114.575 -1.193 . . . . 1.36 109.633 177.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 0.89 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 2.59 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.59 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.51 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.45 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 0.79 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 2.74 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 0.86 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 0.46 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.76 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.1 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.43 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.57 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 1.28 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 1.57 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 0.38 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' OD2' HG22 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.69 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.42 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 2.53 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.27 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 0.52 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 0.7 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.59 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.01 108.621 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -87.92 106.46 12.04 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.9 Cg_exo -67.93 -18.6 46.65 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.987 2.458 . . . . 0.9 112.358 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.27 -17.87 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 3.06 110.406 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.75 -9.17 59.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 1.53 110.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -114.66 -48.2 2.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.794 -0.639 . . . . 2.18 109.449 177.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.98 109.29 19.64 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.349 -0.842 . . . . 2.15 109.28 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.93 95.26 0.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.825 2.35 . . . . 2.78 112.66 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.571 -0.728 . . . . 3.41 110.258 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.872 -0.491 . . . . 8.64 111.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p 58.46 156.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.415 1.086 . . . . 6.19 112.845 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.7 mtp 68.85 0.8 2.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.523 -0.762 . . . . 9.51 111.412 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -149.44 34.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.625 0.726 . . . . 8.26 110.426 177.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.54 60.59 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.094 -0.957 . . . . 5.02 110.027 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.54 -18.64 15.14 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.463 -0.875 . . . . 2.27 111.751 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.87 -35.33 80.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.479 0.657 . . . . 2.85 109.804 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt -130.82 176.45 2.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.087 -0.96 . . . . 1.36 109.751 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 0.89 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 2.59 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' HA3' HD21 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.51 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.45 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' A' ' 8' ' ' LEU . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.79 110.41 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 2.74 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 0.86 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 0.46 109.479 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.76 113.853 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.1 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.43 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.57 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 1.28 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 1.57 111.095 -171.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 0.38 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.69 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.479 HD21 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.42 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 2.53 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.27 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 0.52 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 0.7 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.59 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.01 108.708 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 8.7 t70 -91.94 101.39 4.57 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.2 Cg_exo -68.56 -16.96 43.3 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.886 2.391 . . . . 0.9 112.513 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -75.24 -28.11 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.429 0.633 . . . . 3.06 110.076 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 72.0 mt -75.95 -31.69 59.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.31 -0.859 . . . . 1.53 110.478 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -85.03 -44.3 13.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.071 -0.513 . . . . 2.18 110.765 178.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.83 107.68 44.71 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.032 -0.531 . . . . 2.15 110.268 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.64 72.26 5.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.762 2.308 . . . . 2.78 111.933 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.683 -0.675 . . . . 3.41 110.449 -179.124 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.833 -0.507 . . . . 8.64 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -81.13 50.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 6.19 111.393 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -86.71 65.22 8.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.162 -0.472 . . . . 9.51 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 41.03 58.44 2.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.007 -0.997 . . . . 8.26 112.334 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -140.84 154.95 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 5.02 110.982 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.56 -57.16 0.73 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.624 -0.798 . . . . 2.27 112.613 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -84.02 -39.52 19.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 2.85 109.989 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.56 160.81 28.66 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.579 -0.737 . . . . 1.36 109.884 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.89 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.59 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.51 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.45 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 0.79 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 2.74 110.187 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 0.86 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.46 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.76 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.1 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.43 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.57 113.132 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 1.57 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 0.38 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.69 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 2.53 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.729 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.52 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 0.7 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.59 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.01 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -80.47 118.3 71.79 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.05 -19.05 45.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.848 2.365 . . . . 0.9 112.667 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -72.55 -17.81 61.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.359 0.6 . . . . 3.06 110.189 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.95 -17.47 35.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.275 -0.875 . . . . 1.53 110.343 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -105.25 -48.9 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 2.18 110.888 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.31 120.42 70.48 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 2.15 110.628 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.87 40.58 0.95 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.179 2.586 . . . . 2.78 112.711 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.474 -0.774 . . . . 3.41 110.064 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.894 -0.482 . . . . 8.64 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.79 62.82 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.309 0.576 . . . . 6.19 111.107 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.37 160.38 39.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.373 -0.83 . . . . 9.51 108.833 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.26 115.09 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.238 0.542 . . . . 8.26 110.927 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -85.76 153.21 22.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.67 -0.695 . . . . 5.02 110.512 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 7' ' ' PHE . . . -148.78 174.37 28.44 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.87 -0.681 . . . . 2.27 111.735 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 43.0 m-85 74.96 -60.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.479 0.712 . . . . 2.85 111.26 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? -113.22 133.4 22.09 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 116.447 -0.342 . . . . 1.36 110.904 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 0.89 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 2.59 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.59 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.51 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.45 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 0.79 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 2.74 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 0.86 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 0.46 109.954 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.76 113.655 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.1 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.43 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.57 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 1.28 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 1.57 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 0.38 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.69 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.42 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 2.53 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 0.52 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 0.7 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.59 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.01 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.74 92.85 31.18 Favored Pre-proline 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.79 -15.99 52.16 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.019 2.479 . . . . 0.9 112.821 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -69.46 -30.73 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.25 0.548 . . . . 3.06 110.201 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.85 -16.69 54.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.397 -0.82 . . . . 1.53 110.861 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -103.67 -48.93 3.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.783 -0.644 . . . . 2.18 110.42 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.07 131.44 22.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.72 . . . . 2.15 110.267 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.23 71.73 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.676 2.251 . . . . 2.78 111.991 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.946 -0.55 . . . . 3.41 110.596 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.879 -0.488 . . . . 8.64 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -116.86 27.84 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.764 0.316 . . . . 6.19 110.795 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -44.04 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 9.51 109.915 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -80.55 -19.19 46.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 8.26 109.999 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -78.25 -12.22 59.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.69 -0.686 . . . . 5.02 109.587 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 1.47 59.36 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.34 -0.845 . . . . 2.27 111.433 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -75.87 -18.07 59.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.594 0.712 . . . . 2.85 109.682 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -136.09 170.82 10.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 1.36 109.929 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 0.89 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 2.59 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.59 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.51 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.45 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.79 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 2.74 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 0.86 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 0.46 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.76 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.1 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.43 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.57 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 1.57 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 0.38 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.69 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.42 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 2.53 111.415 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.27 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 0.52 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 0.7 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.59 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.01 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 10.7 t70 -119.22 94.06 47.83 Favored Pre-proline 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.18 -15.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.966 2.444 . . . . 0.9 112.78 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -80.95 -31.44 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.103 0.478 . . . . 3.06 110.428 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 70.2 mt -76.03 -16.7 59.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.532 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.24 -38.8 7.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.55 -0.75 . . . . 2.18 110.499 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.15 123.47 27.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 2.15 110.383 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.32 83.6 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.645 2.23 . . . . 2.78 111.944 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.623 -0.703 . . . . 3.41 110.656 -179.368 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.132 -0.387 . . . . 8.64 112.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m 57.45 52.72 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.345 0.593 . . . . 6.19 111.419 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.46 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 65.3 mtt -130.94 16.71 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.639 . . . . 9.51 109.525 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -105.72 1.12 26.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.37 -0.832 . . . . 8.26 111.287 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.92 19.97 17.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.079 -0.51 . . . . 5.02 110.429 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.82 172.7 23.91 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.831 -0.7 . . . . 2.27 112.483 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -80.12 -19.12 48.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.337 0.589 . . . . 2.85 109.904 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt -126.47 175.0 3.55 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.269 -0.878 . . . . 1.36 109.998 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 0.89 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 2.59 111.793 -176.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.59 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.51 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.45 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 0.79 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 2.74 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 0.46 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.76 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.1 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.43 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.57 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 1.28 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' HD1' HD11 ' A' ' 8' ' ' LEU . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 1.57 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 0.38 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.69 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.42 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 2.53 111.38 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.27 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 0.52 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 0.7 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.59 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.01 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -70.08 112.24 11.88 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.39 -17.33 49.25 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.4 2.067 . . . . 0.9 112.008 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -83.07 -10.79 58.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.221 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -91.56 -24.82 19.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 1.53 110.572 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 4.1 mptp? -98.1 -38.71 9.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 2.18 110.077 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -98.09 136.61 20.96 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.488 -0.778 . . . . 2.15 108.94 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.35 72.11 0.4 Allowed 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.506 2.137 . . . . 2.78 112.421 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.465 -0.779 . . . . 3.41 110.425 179.583 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.088 -0.405 . . . . 8.64 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -131.1 116.1 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.164 0.507 . . . . 6.19 110.701 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.26 -21.74 61.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.06 -0.518 . . . . 9.51 110.795 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.16 -26.91 65.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.548 -0.296 . . . . 8.26 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.11 -13.37 33.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 5.02 110.066 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.94 31.44 5.69 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.361 -0.836 . . . . 2.27 111.193 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.74 -39.5 76.74 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.957 -0.757 . . . . 2.85 108.957 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -112.26 156.98 41.23 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.798 -1.092 . . . . 1.36 108.919 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 0.89 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 2.59 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.59 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.51 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.45 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 2.74 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 0.86 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.76 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.1 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.43 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.57 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 1.28 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 1.57 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 0.38 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.69 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.42 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 2.53 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.27 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.7 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 23' ' ' PHE . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.59 108.802 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.01 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 -68.08 109.51 4.07 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.37 -22.07 73.57 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.936 2.424 . . . . 0.9 112.391 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -73.95 -16.16 61.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 3.06 110.74 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.41 -10.0 57.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.896 -0.593 . . . . 1.53 110.479 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -116.39 -54.14 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 2.18 109.732 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.16 113.52 63.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.933 -1.03 . . . . 2.15 110.127 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.33 110.24 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.787 2.325 . . . . 2.78 112.05 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.538 -0.744 . . . . 3.41 110.089 178.841 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.088 -0.405 . . . . 8.64 112.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 58.34 31.31 20.73 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.106 0.479 . . . . 6.19 111.481 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm -107.99 -4.57 17.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 9.51 109.305 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 10' ' ' LYS . 8.8 pt-20 -110.09 10.96 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.445 -0.798 . . . . 8.26 111.29 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.27 174.2 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.707 0.289 . . . . 5.02 111.199 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.63 -70.87 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.139 -0.784 . . . . 2.27 111.139 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 8' ' ' LEU . 69.9 m-85 -109.38 -57.32 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.336 -0.616 . . . . 2.85 109.336 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD22 ' C ' ' A' ' 7' ' ' PHE . 4.0 mm? -122.25 158.56 55.32 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.254 -0.884 . . . . 1.36 109.722 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 0.89 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 2.59 110.779 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.59 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.51 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.45 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 0.79 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 2.74 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 0.46 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.76 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.1 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.43 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.57 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 1.28 108.576 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 1.57 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 0.38 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.69 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.42 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 2.53 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.27 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 0.52 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 0.7 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.59 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.01 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -80.93 107.85 8.61 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.66 -16.03 45.81 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.529 2.153 . . . . 0.9 111.951 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -82.62 -15.31 52.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.866 -0.606 . . . . 3.06 110.211 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -89.29 -19.28 25.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.776 . . . . 1.53 110.04 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.79 -51.86 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.964 -0.754 . . . . 2.18 108.964 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -113.22 104.96 55.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.168 -0.923 . . . . 2.15 109.485 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.08 121.6 10.19 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.996 2.464 . . . . 2.78 112.244 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.595 -0.717 . . . . 3.41 110.264 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.796 -0.522 . . . . 8.64 111.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -79.95 58.99 3.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.066 0.46 . . . . 6.19 112.129 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 mmt -99.22 110.04 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.704 -0.48 . . . . 9.51 109.704 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 59.01 32.03 21.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 8.26 110.811 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.89 -27.58 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.513 -0.767 . . . . 5.02 108.992 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.93 138.58 14.91 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.073 -0.967 . . . . 2.27 111.344 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.91 -18.89 31.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.599 0.714 . . . . 2.85 109.686 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt -118.59 178.47 1.05 Allowed Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 1.36 110.323 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 0.89 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 2.59 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.59 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.51 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.45 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.79 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 2.74 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 0.86 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 0.46 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.76 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.1 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.43 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.57 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 15' ' ' ARG . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 1.28 108.481 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 1.57 111.279 -169.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 0.38 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.69 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.42 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 2.53 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 0.52 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 0.7 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.59 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.01 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 14.1 t70 -66.67 110.22 4.6 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 15.1 Cg_exo -68.37 -15.7 42.5 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.807 2.338 . . . . 0.9 112.472 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 19.1 mtp180 -78.64 -21.64 48.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.339 0.59 . . . . 3.06 109.896 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 89.2 mt -78.45 -17.76 55.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.389 -0.823 . . . . 1.53 110.79 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.89 -48.29 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 2.18 110.503 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.04 132.37 30.98 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.535 -0.757 . . . . 2.15 109.75 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.79 67.08 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.063 2.508 . . . . 2.78 112.434 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.609 -0.71 . . . . 3.41 109.887 178.712 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.046 -0.422 . . . . 8.64 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m 55.78 45.04 25.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.263 0.554 . . . . 6.19 111.004 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -115.89 66.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 9.51 110.316 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 59.33 51.66 6.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.91 -1.041 . . . . 8.26 111.028 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.26 12.02 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.436 -0.802 . . . . 5.02 111.085 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.45 -44.4 0.99 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.17 -0.538 . . . . 2.27 111.861 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.14 -39.02 93.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.285 0.564 . . . . 2.85 109.569 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? -118.37 170.83 5.86 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.126 -0.943 . . . . 1.36 109.028 173.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 0.89 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 2.59 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.59 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.51 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.45 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 0.79 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 2.74 110.168 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 0.86 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.76 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.1 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.43 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.57 112.789 177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 1.28 108.071 172.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 1.57 111.139 -172.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.38 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.69 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.42 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 2.53 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 26' ' ' ASP . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.27 110.389 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.52 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 0.7 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.59 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.01 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -121.53 97.09 47.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -63.95 -17.01 58.13 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.094 2.529 . . . . 0.9 112.66 -177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -79.59 -20.51 46.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.996 0.427 . . . . 3.06 110.541 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.6 -25.18 41.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 1.53 110.49 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -97.12 -42.71 7.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.807 -0.633 . . . . 2.18 110.443 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.8 mt -115.23 104.28 53.75 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.722 -0.672 . . . . 2.15 110.445 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.65 46.47 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.217 2.611 . . . . 2.78 112.12 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.345 -0.836 . . . . 3.41 110.458 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.695 -0.562 . . . . 8.64 111.695 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -133.02 32.97 3.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.501 . . . . 6.19 110.127 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.46 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -56.75 113.43 1.64 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.812 -0.631 . . . . 9.51 110.073 177.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 44.02 34.44 0.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.011 -0.995 . . . . 8.26 112.318 -173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 3' ' ' MET . 75.0 mt-30 -110.48 13.13 22.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.355 0.598 . . . . 5.02 109.633 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.91 -5.47 6.93 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.552 -0.749 . . . . 2.27 111.465 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 30.4 t80 76.36 -49.57 0.58 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.823 0.849 . . . . 2.85 110.647 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.71 162.27 23.75 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.293 -0.632 . . . . 1.36 109.293 176.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 0.89 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 2.59 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.59 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.51 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.45 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 0.79 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 2.74 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 0.86 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.46 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.76 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.1 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.43 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.57 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 1.28 108.931 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 1.57 110.925 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 0.38 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' OD2' HG22 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.69 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.42 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 2.53 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.27 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 0.52 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 0.7 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.59 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.01 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 9.8 t70 -64.19 112.43 7.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 27.8 Cg_exo -63.75 -15.88 51.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.038 2.492 . . . . 0.9 113.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' CE2' ' A' ' 7' ' ' PHE . 73.1 mtm180 -84.99 -43.29 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.245 0.545 . . . . 3.06 110.125 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -88.99 -35.12 16.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.259 -0.882 . . . . 1.53 111.933 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -90.96 -28.76 17.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 2.18 110.879 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 37' ' ' PRO . 62.1 mt -107.57 133.93 20.21 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.713 -0.676 . . . . 2.15 109.458 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.88 68.24 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.744 2.296 . . . . 2.78 112.185 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.723 -0.656 . . . . 3.41 110.002 177.161 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.232 -0.655 . . . . 1.36 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 0.89 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 2.59 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.59 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.51 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.45 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.79 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 2.74 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 0.86 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.76 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.1 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.43 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.57 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 1.28 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 1.57 111.09 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 0.38 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.69 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 2.53 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.27 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 0.52 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 0.7 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.59 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.01 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 119.201 -0.428 . . . . 1.36 110.286 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 0.89 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 2.59 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.539 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.59 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.51 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.45 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 0.79 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 2.74 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 0.86 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 0.46 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.76 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.1 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 21' ' ' ARG . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.43 110.379 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.57 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 1.28 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 1.57 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 0.38 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.69 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.539 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.42 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 2.53 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.27 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 0.7 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.59 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.01 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.629 -0.137 . . . . 1.36 110.629 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 0.89 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 2.59 111.81 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.59 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.51 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.45 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.79 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 2.74 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.86 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 0.46 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.76 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.1 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.43 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.57 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 1.28 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 1.57 111.107 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 0.38 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' HB3' HG22 ' A' ' 31' ' ' THR . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.69 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.42 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 2.53 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.27 110.164 178.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 0.52 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 0.7 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.59 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.01 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.157 -0.682 . . . . 1.36 109.157 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 0.89 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 2.59 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.59 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.51 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.45 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 0.79 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 2.74 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 0.86 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 0.46 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.76 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.1 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.43 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.57 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 1.28 108.825 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 1.57 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 0.38 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.69 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 2.53 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.27 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 0.52 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.7 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.59 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.01 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 22.0 t70 . . . . . 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.633 -0.506 . . . . 1.36 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 0.89 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 2.59 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.59 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.51 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.45 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 0.79 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 2.74 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 0.86 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 0.46 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.76 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.1 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.43 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.57 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 1.28 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 1.57 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 0.38 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.534 ' OD2' HG22 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.69 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.42 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 2.53 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.27 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 0.52 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 0.7 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.59 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.01 108.621 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.751 -0.463 . . . . 1.36 109.751 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 0.89 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 2.59 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' HA3' HD21 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.51 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.45 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' A' ' 8' ' ' LEU . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.79 110.41 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 2.74 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 0.86 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 0.46 109.479 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.76 113.853 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.1 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.43 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.57 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 1.28 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 1.57 111.095 -171.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 0.38 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.69 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.479 HD21 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.42 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 2.53 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.27 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 0.52 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 0.7 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.59 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.01 108.708 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.884 -0.413 . . . . 1.36 109.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.89 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.59 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.51 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.45 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 0.79 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 2.74 110.187 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 0.86 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.46 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.76 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.1 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.43 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.57 113.132 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 1.57 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 0.38 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.69 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 2.53 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.729 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.52 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 0.7 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.59 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.01 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.529 0.204 . . . . 1.36 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 0.89 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 2.59 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.59 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.51 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.45 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 0.79 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 2.74 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 0.86 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 0.46 109.954 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.76 113.655 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.1 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.43 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.57 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 1.28 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 1.57 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 0.38 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.69 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.42 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 2.53 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 0.52 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 0.7 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.59 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.01 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.929 -0.397 . . . . 1.36 109.929 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 0.89 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 2.59 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.59 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.51 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.45 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.79 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 2.74 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 0.86 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 0.46 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.76 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.1 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.43 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.57 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 1.57 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 0.38 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.69 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.42 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 2.53 111.415 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.27 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 0.52 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 0.7 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.59 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.01 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.998 -0.371 . . . . 1.36 109.998 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 0.89 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 2.59 111.793 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.59 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.51 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.45 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 0.79 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 2.74 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 0.46 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.76 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.1 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.43 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.57 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 1.28 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' HD1' HD11 ' A' ' 8' ' ' LEU . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 1.57 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 0.38 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.69 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.42 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 2.53 111.38 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.27 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 0.52 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 0.7 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.59 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.01 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 108.919 -0.771 . . . . 1.36 108.919 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 0.89 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 2.59 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.59 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.51 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.45 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 2.74 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 0.86 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.76 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.1 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.43 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.57 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 1.28 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 1.57 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 0.38 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.69 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.42 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 2.53 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.27 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.7 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 23' ' ' PHE . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.59 108.802 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.01 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.722 -0.473 . . . . 1.36 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 0.89 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 2.59 110.779 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.59 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.51 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.45 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 0.79 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 2.74 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 0.46 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.76 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.1 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.43 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.57 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 1.28 108.576 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 1.57 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 0.38 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.69 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.42 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 2.53 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.27 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 0.52 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 0.7 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.59 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.01 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.323 -0.251 . . . . 1.36 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 0.89 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 2.59 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.59 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.51 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.45 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.79 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 2.74 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 0.86 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 0.46 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.76 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.1 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.43 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.57 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 15' ' ' ARG . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 1.28 108.481 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 1.57 111.279 -169.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 0.38 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.69 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.42 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 2.53 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 0.52 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 0.7 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.59 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.01 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.028 -0.73 . . . . 1.36 109.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 0.89 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 2.59 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.416 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.59 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.51 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.45 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 0.79 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 2.74 110.168 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 0.86 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.76 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.1 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.43 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.57 112.789 177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 1.28 108.071 172.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 1.57 111.139 -172.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.38 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.69 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.42 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 2.53 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 26' ' ' ASP . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.27 110.389 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.52 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 0.7 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.59 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.01 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.293 -0.632 . . . . 1.36 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 0.89 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 2.59 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.59 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.51 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.45 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 0.79 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 2.74 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 0.86 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.46 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.76 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.1 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.43 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.57 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 1.28 108.931 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 1.57 110.925 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 0.38 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' OD2' HG22 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.69 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.42 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 2.53 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.27 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 0.52 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 0.7 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.59 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.01 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.063 -0.415 . . . . 8.64 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -112.65 8.5 19.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.91 0.337 . . . . 6.19 111.91 -175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mmm -72.44 -36.96 68.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.785 0.326 . . . . 9.51 110.423 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 7' ' ' PHE . 11.7 pt-20 -82.34 -5.87 58.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.934 0.397 . . . . 8.26 110.718 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -92.72 -8.34 44.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 5.02 110.858 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.25 89.41 0.11 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.283 -0.961 . . . . 2.27 112.88 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 4' ' ' GLU . 94.5 m-85 -90.59 -33.82 15.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.515 0.674 . . . . 2.85 109.676 175.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.86 169.71 6.07 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.795 -1.093 . . . . 1.36 109.232 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.25 155.96 32.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 121.936 1.757 . . . . 0.89 111.211 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -61.05 115.93 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.485 0.66 . . . . 2.59 111.01 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 109.59 -19.35 28.79 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.393 -0.821 . . . . 0.59 112.046 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CE2' ' HB2' ' A' ' 26' ' ' ASP . 67.9 m95 -88.7 147.96 24.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.818 0.342 . . . . 0.51 110.613 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -149.62 141.74 23.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 2.45 109.873 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -100.31 134.94 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.79 110.763 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -131.6 146.09 52.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 2.74 109.897 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -101.2 128.56 47.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.914 0.388 . . . . 0.86 110.915 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 166.22 36.36 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.187 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.16 -36.41 45.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.485 2.123 . . . . 0.76 112.894 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -67.53 -13.65 62.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 1.1 111.893 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.72 60.48 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.901 -0.666 . . . . 0.65 112.869 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -91.88 138.36 24.88 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 120.914 0.388 . . . . 2.43 110.76 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.07 127.76 4.15 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.941 2.428 . . . . 0.57 112.791 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -112.86 157.37 21.49 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.566 -0.902 . . . . 1.28 108.566 172.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -118.43 131.99 56.26 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.026 0.441 . . . . 1.57 111.09 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.3 tt -118.15 131.82 69.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.571 -0.741 . . . . 0.38 110.929 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 11.0 t70 -95.29 112.15 23.9 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.332 -0.849 . . . . 1.25 109.601 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -72.82 -18.03 61.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.423 -0.353 . . . . 0.69 111.009 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.8 m-80 -64.68 -61.03 2.44 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.493 -0.321 . . . . 0.66 110.977 -178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.6 p -105.16 6.63 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.281 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm 61.87 43.45 9.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.464 -0.789 . . . . 2.53 110.796 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.4 m -101.6 120.38 40.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.758 -0.655 . . . . 1.27 110.91 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -115.49 129.3 56.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.048 -0.353 . . . . 0.52 110.048 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -153.14 163.38 39.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.513 -0.312 . . . . 0.7 110.349 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -98.6 108.66 21.41 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.457 -0.571 . . . . 0.59 109.457 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -157.25 -179.53 8.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.968 -1.015 . . . . 2.01 108.832 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.44 89.05 27.99 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.688 -0.486 . . . . 1.47 109.688 170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.32 -18.65 46.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.815 2.343 . . . . 0.9 112.574 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -74.21 -22.16 59.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.517 . . . . 3.06 110.424 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.75 -9.69 48.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.6 -0.727 . . . . 1.53 111.162 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -114.73 -45.14 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.21 -0.45 . . . . 2.18 110.947 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.1 mm -84.33 113.0 45.8 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 2.15 110.379 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.69 74.85 3.38 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.961 2.441 . . . . 2.78 111.808 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.499 -0.762 . . . . 3.41 110.45 -179.324 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.756 -0.538 . . . . 8.64 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -93.15 91.41 7.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 6.19 110.289 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.4 ttm -144.26 -62.83 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.164 -0.471 . . . . 9.51 110.633 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -107.61 32.11 4.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 8.26 110.861 -176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -124.32 145.47 49.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.822 -0.627 . . . . 5.02 109.739 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.96 39.67 63.61 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.658 -0.977 . . . . 2.27 110.658 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -88.16 -27.37 21.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.388 0.613 . . . . 2.85 110.962 -174.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 mm? -107.71 -179.7 0.74 Allowed Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.637 -0.711 . . . . 1.36 110.286 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 54.2 Cg_exo -57.5 171.27 1.42 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.154 1.903 . . . . 0.89 112.632 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 3.0 pptp? -52.81 125.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.464 0.65 . . . . 2.59 111.507 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.539 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.91 -29.07 9.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.308 -0.86 . . . . 0.59 112.526 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -84.36 153.48 23.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.882 0.373 . . . . 0.51 111.304 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -154.19 151.2 28.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.17 -0.678 . . . . 2.45 109.17 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -114.21 141.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 0.79 110.789 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.2 mtp180 -138.47 150.82 46.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.061 -0.518 . . . . 2.74 110.006 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -94.15 128.5 40.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.768 0.318 . . . . 0.86 110.717 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.9 166.37 37.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.145 -0.48 . . . . 0.46 109.891 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -48.58 -37.1 33.5 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.493 2.129 . . . . 0.76 112.929 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -67.66 -9.59 44.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.366 -0.379 . . . . 1.1 111.83 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.23 -10.74 67.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.178 -0.534 . . . . 0.65 112.584 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 21' ' ' ARG . 41.9 mtm180 -87.77 143.12 33.12 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 2.43 110.379 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.7 Cg_endo -83.92 128.09 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.567 2.178 . . . . 0.57 113.057 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -108.54 159.75 16.46 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.542 -0.91 . . . . 1.28 108.542 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -119.21 131.23 55.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.362 0.601 . . . . 1.57 111.296 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 tt -115.89 127.77 73.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.716 -0.675 . . . . 0.38 110.716 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 29' ' ' THR . 16.5 t70 -98.69 122.58 42.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.677 . . . . 1.25 110.398 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -92.54 -2.41 56.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.073 -0.512 . . . . 0.69 111.09 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.539 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 64.1 m-80 -72.14 -61.04 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.66 110.066 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.9 t -104.46 7.88 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 1.42 110.26 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.88 54.75 3.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.146 -0.934 . . . . 2.53 111.2 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.1 m -128.25 120.27 26.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.258 -0.428 . . . . 1.27 110.83 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -98.91 137.86 36.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -165.95 164.42 18.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.04 0.447 . . . . 0.7 110.892 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -90.91 109.74 20.96 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.706 -0.85 . . . . 0.59 108.706 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -156.52 157.69 35.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.365 -0.834 . . . . 2.01 108.811 -174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 12.8 t70 -116.24 98.07 50.75 Favored Pre-proline 0 C--N 1.316 -0.852 0 C-N-CA 120.811 -0.356 . . . . 1.47 110.06 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.56 -22.06 70.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.798 2.332 . . . . 0.9 112.574 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 32.7 mmt180 -72.45 -26.58 61.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.1 0.476 . . . . 3.06 110.668 -175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 74.4 mt -75.76 -30.75 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 1.53 111.583 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -36.82 9.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.102 0.477 . . . . 2.18 110.558 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.2 mt -100.9 115.67 65.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.706 -0.679 . . . . 2.15 109.644 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.43 51.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.804 2.336 . . . . 2.78 112.564 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.65 -0.691 . . . . 3.41 109.604 178.435 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.916 -0.473 . . . . 8.64 111.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p 52.22 34.93 15.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.673 0.789 . . . . 6.19 112.088 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.2 mmm -115.1 0.17 13.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 9.51 111.211 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.85 17.9 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.059 0.457 . . . . 8.26 110.31 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 56.0 mm-40 -99.3 -18.47 17.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.606 . . . . 5.02 109.694 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.28 -95.04 0.65 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.305 -0.861 . . . . 2.27 112.689 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -119.0 -0.0 11.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.146 0.498 . . . . 2.85 110.657 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.58 163.81 16.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.007 -0.542 . . . . 1.36 110.629 -174.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 24.2 Cg_exo -64.73 167.78 14.77 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.472 2.115 . . . . 0.89 111.875 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HA ' ' CD ' ' A' ' 5' ' ' GLN . 21.7 ptmt -61.81 121.72 13.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.704 -0.68 . . . . 2.59 111.81 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.66 62.61 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.696 -0.684 . . . . 0.59 112.449 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 61.3 m95 -93.43 151.13 19.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.167 0.508 . . . . 0.51 111.246 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.83 144.64 28.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 2.45 109.419 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.21 133.99 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.159 0.504 . . . . 0.79 110.348 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.4 mmt180 -122.41 165.33 16.49 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.352 -0.61 . . . . 2.74 109.352 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -125.24 132.33 52.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.86 110.413 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.9 164.58 41.32 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.088 -0.506 . . . . 0.46 110.338 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -51.44 -30.82 36.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.594 2.196 . . . . 0.76 113.136 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -80.51 1.37 29.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 1.1 111.304 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.12 4.62 86.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.091 -0.576 . . . . 0.65 112.844 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -90.94 128.6 47.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.916 -0.402 . . . . 2.43 109.916 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 95.9 Cg_endo -81.14 141.36 12.92 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.675 2.25 . . . . 0.57 113.03 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -131.15 158.23 41.03 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.802 -0.814 . . . . 1.28 108.802 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -117.35 136.92 52.8 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.1 0.476 . . . . 1.57 111.107 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 tt -123.34 132.19 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.593 -0.73 . . . . 0.38 110.865 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' HB3' HG22 ' A' ' 31' ' ' THR . 8.3 t70 -92.81 120.2 32.93 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.402 -0.817 . . . . 1.25 109.591 177.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -87.71 -5.51 58.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.421 -0.354 . . . . 0.69 111.104 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -71.48 -57.25 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.66 110.255 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -110.89 3.62 19.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.328 0.585 . . . . 1.42 110.852 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 65.44 57.82 0.87 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.139 -0.937 . . . . 2.53 111.464 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 26' ' ' ASP . 14.8 t -123.64 145.54 48.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.299 -0.409 . . . . 1.27 110.164 178.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -119.93 141.7 49.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.232 -0.44 . . . . 0.52 110.173 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -150.91 144.71 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.827 0.346 . . . . 0.7 110.99 -175.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -95.91 104.52 16.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.866 -0.79 . . . . 0.59 108.866 172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -161.69 -167.98 1.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.263 -0.881 . . . . 2.01 109.329 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 3.9 t70 -132.65 97.99 16.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.834 -0.802 . . . . 1.47 108.834 166.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.7 -19.22 44.84 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.895 2.396 . . . . 0.9 112.536 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 45.0 mtm180 -75.45 -10.53 59.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.46 . . . . 3.06 110.733 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.17 -9.07 21.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.974 -0.557 . . . . 1.53 111.674 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 41' ' ' ILE . 9.3 ptpp? -126.0 -29.94 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 2.18 111.597 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 40' ' ' LYS . 48.5 mm -100.68 126.92 33.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.695 -0.483 . . . . 2.15 109.695 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.13 60.19 3.1 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.947 2.431 . . . . 2.78 111.898 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.499 -0.762 . . . . 3.41 110.137 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.798 -0.521 . . . . 8.64 111.798 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m 60.88 50.77 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.182 0.515 . . . . 6.19 110.204 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -78.99 -26.66 43.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.877 -0.602 . . . . 9.51 110.836 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -109.0 59.37 0.6 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.589 . . . . 8.26 111.279 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.76 -40.63 13.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.006 -0.739 . . . . 5.02 109.006 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.51 29.82 0.21 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.614 -0.721 . . . . 2.27 111.82 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 66.13 -65.83 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.524 0.729 . . . . 2.85 111.373 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 2.8 mm? -94.82 175.29 2.96 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.104 -0.953 . . . . 1.36 109.157 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 52.2 Cg_exo -58.01 161.3 13.51 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.012 1.808 . . . . 0.89 112.717 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -56.6 115.31 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.94 . . . . 2.59 111.959 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.66 42.99 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.59 112.25 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -91.53 153.91 19.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.818 0.342 . . . . 0.51 110.686 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -146.39 146.76 30.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.834 -0.621 . . . . 2.45 109.485 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.58 130.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.306 0.574 . . . . 0.79 110.865 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.2 mtp180 -133.07 147.88 52.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 2.74 109.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -99.46 124.43 44.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.878 0.37 . . . . 0.86 110.569 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.08 165.77 41.06 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.838 -0.619 . . . . 0.46 110.335 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.84 -33.34 13.94 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.642 2.228 . . . . 0.76 113.683 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -69.1 -7.51 36.64 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.854 0.316 . . . . 1.1 111.854 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.76 1.3 77.28 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.231 -0.509 . . . . 0.65 112.32 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -99.63 144.97 29.3 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.696 0.284 . . . . 2.43 110.518 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 86.8 Cg_endo -85.85 125.84 2.83 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.608 2.206 . . . . 0.57 113.101 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -106.42 160.65 15.23 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.825 -0.806 . . . . 1.28 108.825 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 85.1 m-85 -120.15 122.95 42.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.136 0.493 . . . . 1.57 110.743 -173.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.47 129.46 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.669 -0.696 . . . . 0.38 111.079 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -95.18 122.65 38.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.147 -0.933 . . . . 1.25 109.636 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -93.92 0.79 56.3 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.994 -0.282 . . . . 0.69 111.209 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -75.76 -56.42 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.635 -0.505 . . . . 0.66 109.635 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 p -104.03 0.89 30.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.519 -0.764 . . . . 1.42 110.98 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptp 65.28 39.47 5.34 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.215 -0.902 . . . . 2.53 110.24 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -93.94 143.16 26.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 1.27 110.568 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 m -135.15 118.44 16.67 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.879 -0.415 . . . . 0.52 109.879 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -153.65 157.23 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.7 109.82 -175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.82 105.54 17.65 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.308 -0.626 . . . . 0.59 109.308 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -159.52 103.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.942 -0.762 . . . . 2.01 108.942 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.556 ' OD2' ' HG ' ' A' ' 39' ' ' LEU . 22.0 t70 -67.74 110.8 6.01 Favored Pre-proline 0 C--N 1.322 -0.615 0 O-C-N 123.162 0.289 . . . . 1.47 111.131 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.73 -17.81 47.6 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.8 2.334 . . . . 0.9 112.415 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.537 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 47.5 mtt180 -70.08 -28.26 65.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.229 0.538 . . . . 3.06 110.199 -177.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HG ' ' OD2' ' A' ' 36' ' ' ASP . 82.8 mt -75.58 -23.06 56.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.476 -0.784 . . . . 1.53 110.73 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -101.96 -38.75 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.545 . . . . 2.18 110.586 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.86 104.79 55.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.632 -0.713 . . . . 2.15 110.214 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.41 101.25 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.888 2.392 . . . . 2.78 111.681 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.555 -0.736 . . . . 3.41 110.478 179.052 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.066 -0.414 . . . . 8.64 112.066 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 3' ' ' MET . 45.3 m -133.85 161.58 34.37 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.811 -0.229 . . . . 6.19 110.692 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 2' ' ' SER . 21.7 ptt? 54.27 18.14 1.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.613 1.165 . . . . 9.51 112.334 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -112.76 -2.01 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.43 0.633 . . . . 8.26 109.628 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.59 168.29 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.132 -0.94 . . . . 5.02 109.509 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.8 -91.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.399 -0.68 . . . . 2.27 111.399 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.44 -30.57 14.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.839 -0.8 . . . . 2.85 108.839 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 37' ' ' PRO . 3.6 mm? -98.94 166.92 12.19 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 114.575 -1.193 . . . . 1.36 109.633 177.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.28 171.08 4.43 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.451 2.1 . . . . 0.89 112.436 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -67.22 133.19 49.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 2.59 111.072 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 92.71 -19.86 48.54 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.687 -0.688 . . . . 0.59 111.989 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -82.5 158.39 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.886 0.374 . . . . 0.51 110.435 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -154.19 124.37 6.88 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 2.45 109.821 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 p -95.1 126.73 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.374 0.607 . . . . 0.79 110.253 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 77.9 mtp180 -130.03 145.69 51.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.859 -0.61 . . . . 2.74 110.385 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -95.6 128.71 42.69 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.28 -0.418 . . . . 0.86 110.382 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -92.94 165.8 17.87 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.421 -0.354 . . . . 0.46 110.442 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -51.24 -28.74 27.14 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.807 2.338 . . . . 0.76 113.242 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 39.4 p-10 -70.42 -8.0 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.1 111.241 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.32 -12.33 68.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.132 -0.556 . . . . 0.65 112.628 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -98.2 143.81 26.94 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.054 0.454 . . . . 2.43 110.944 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 97.3 Cg_endo -81.59 134.71 8.83 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.764 2.309 . . . . 0.57 112.485 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -109.68 162.69 14.19 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.731 -0.84 . . . . 1.28 108.731 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -121.5 112.19 18.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.156 0.503 . . . . 1.57 110.679 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.5 tt -105.0 131.85 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.948 -0.569 . . . . 0.38 110.733 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.534 ' OD2' HG22 ' A' ' 29' ' ' THR . 23.3 t70 -97.38 117.2 31.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.646 -0.706 . . . . 1.25 109.967 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -86.22 -6.7 58.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.284 -0.416 . . . . 0.69 110.869 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 66.2 m-80 -70.24 -57.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.977 0.418 . . . . 0.66 110.113 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OD2' ' A' ' 26' ' ' ASP . 11.6 t -100.12 4.76 44.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.471 . . . . 1.42 110.746 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm 62.63 59.78 1.42 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.123 -0.944 . . . . 2.53 110.847 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -136.31 123.83 22.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.095 0.474 . . . . 1.27 111.985 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 m -95.39 134.34 38.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.739 -0.664 . . . . 0.52 109.229 172.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -157.7 156.19 31.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.211 -0.292 . . . . 0.7 110.211 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -97.63 105.77 17.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.886 -0.783 . . . . 0.59 108.886 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 40.4 tt0 -159.63 120.95 3.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.621 -0.881 . . . . 2.01 108.621 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -87.92 106.46 12.04 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 120.591 0.234 . . . . 1.47 110.547 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.9 Cg_exo -67.93 -18.6 46.65 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.987 2.458 . . . . 0.9 112.358 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.27 -17.87 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.257 0.551 . . . . 3.06 110.406 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.75 -9.17 59.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 1.53 110.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -114.66 -48.2 2.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.794 -0.639 . . . . 2.18 109.449 177.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.98 109.29 19.64 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.349 -0.842 . . . . 2.15 109.28 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.93 95.26 0.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.825 2.35 . . . . 2.78 112.66 -173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.571 -0.728 . . . . 3.41 110.258 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.872 -0.491 . . . . 8.64 111.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p 58.46 156.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.415 1.086 . . . . 6.19 112.845 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.7 mtp 68.85 0.8 2.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.523 -0.762 . . . . 9.51 111.412 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -149.44 34.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.625 0.726 . . . . 8.26 110.426 177.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.54 60.59 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.094 -0.957 . . . . 5.02 110.027 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.54 -18.64 15.14 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.463 -0.875 . . . . 2.27 111.751 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.87 -35.33 80.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.479 0.657 . . . . 2.85 109.804 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 84.8 mt -130.82 176.45 2.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.087 -0.96 . . . . 1.36 109.751 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 43.9 Cg_exo -59.82 169.72 4.28 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.1 1.867 . . . . 0.89 112.027 172.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -62.75 119.41 9.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.767 -0.652 . . . . 2.59 111.754 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' HA3' HD21 ' A' ' 28' ' ' ASN . . . 97.06 -3.99 62.5 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.59 112.615 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 50.0 m95 -90.18 156.2 18.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.348 . . . . 0.51 110.726 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 15' ' ' ARG . 41.9 tt0 -148.36 133.35 18.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.955 -0.566 . . . . 2.45 109.818 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' A' ' 8' ' ' LEU . 14.2 p -99.64 132.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.79 110.41 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 1.2 mmp_? -131.57 162.06 31.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.897 -0.592 . . . . 2.74 109.704 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -104.4 128.62 52.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.053 0.454 . . . . 0.86 110.65 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.57 165.92 48.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.678 -0.692 . . . . 0.46 109.479 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 52.6 Cg_exo -44.57 -38.83 12.56 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.675 2.25 . . . . 0.76 113.853 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -77.99 -1.75 33.65 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.143 0.423 . . . . 1.1 112.143 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.84 -12.73 65.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.427 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -74.88 138.28 73.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.989 0.423 . . . . 2.43 111.288 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 72.6 Cg_endo -78.69 125.83 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.732 2.288 . . . . 0.57 113.352 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 49.9 p90 -111.06 163.39 13.9 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.36 -0.978 . . . . 1.28 108.36 172.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -121.3 124.8 45.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.988 0.423 . . . . 1.57 111.095 -171.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.86 127.66 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.416 0.627 . . . . 0.38 111.091 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 t70 -93.1 116.66 29.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.539 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -75.73 -20.09 58.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.69 111.403 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.479 HD21 ' HA3' ' A' ' 11' ' ' GLY . 54.7 m-80 -66.13 -52.21 50.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.153 0.502 . . . . 0.66 110.41 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.8 1.61 37.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.762 -0.654 . . . . 1.42 110.678 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 58.55 41.59 22.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.176 -0.92 . . . . 2.53 110.584 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 m -102.76 122.83 45.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.46 -0.791 . . . . 1.27 111.219 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 m -109.2 114.3 27.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.655 -0.498 . . . . 0.52 109.655 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -149.33 160.33 43.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.735 0.303 . . . . 0.7 110.374 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -92.14 105.64 17.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.466 -0.939 . . . . 0.59 108.466 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 9.0 tp10 -159.45 116.39 2.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.708 -0.849 . . . . 2.01 108.708 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 8.7 t70 -91.94 101.39 4.57 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-O 120.598 0.237 . . . . 1.47 110.6 -176.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 35' ' ' GLU . 16.2 Cg_exo -68.56 -16.96 43.3 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.886 2.391 . . . . 0.9 112.513 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -75.24 -28.11 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.429 0.633 . . . . 3.06 110.076 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 72.0 mt -75.95 -31.69 59.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.31 -0.859 . . . . 1.53 110.478 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -85.03 -44.3 13.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.071 -0.513 . . . . 2.18 110.765 178.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.83 107.68 44.71 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.032 -0.531 . . . . 2.15 110.268 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.64 72.26 5.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.762 2.308 . . . . 2.78 111.933 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.683 -0.675 . . . . 3.41 110.449 -179.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.833 -0.507 . . . . 8.64 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -81.13 50.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 6.19 111.393 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -86.71 65.22 8.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.162 -0.472 . . . . 9.51 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 41.03 58.44 2.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.007 -0.997 . . . . 8.26 112.334 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -140.84 154.95 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 5.02 110.982 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.56 -57.16 0.73 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.624 -0.798 . . . . 2.27 112.613 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -84.02 -39.52 19.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 2.85 109.989 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.56 160.81 28.66 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.579 -0.737 . . . . 1.36 109.884 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 35.2 Cg_exo -61.0 168.86 6.69 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.89 111.698 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -60.8 116.94 4.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.724 -0.671 . . . . 2.59 111.358 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.68 3.94 68.17 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.685 -0.689 . . . . 0.59 112.684 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 9' ' ' PRO . 57.4 m95 -105.94 155.01 19.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.53 . . . . 0.51 111.758 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -144.43 146.49 32.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.436 -0.802 . . . . 2.45 109.554 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.52 134.77 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.087 0.47 . . . . 0.79 110.008 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 29.6 mmm180 -132.63 135.1 45.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.489 . . . . 2.74 110.187 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -81.44 125.14 30.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.685 0.278 . . . . 0.86 110.598 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -75.71 169.03 22.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.46 109.974 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 82.5 Cg_exo -49.29 -38.11 41.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.492 2.128 . . . . 0.76 113.245 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -78.33 -4.67 49.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.0 0.429 . . . . 1.1 111.252 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.13 -9.31 65.35 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.187 -0.53 . . . . 0.65 113.197 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -79.34 130.43 68.79 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.839 -0.43 . . . . 2.43 109.839 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 71.8 Cg_endo -79.73 125.75 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.399 2.066 . . . . 0.57 113.132 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 54.2 p90 -106.34 165.72 11.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -120.61 117.63 28.05 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.278 0.561 . . . . 1.57 110.742 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.8 tt -104.99 127.94 59.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.544 -0.753 . . . . 0.38 111.162 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 4.2 t70 -92.79 125.66 37.5 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.061 -0.972 . . . . 1.25 110.157 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.29 -11.38 27.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.26 -0.427 . . . . 0.69 110.894 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -64.87 -53.93 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.66 110.682 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -124.85 12.96 8.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.963 -0.562 . . . . 1.42 110.208 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 67.75 50.42 0.87 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.216 -0.902 . . . . 2.53 111.466 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 57.8 m -103.29 119.88 39.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.729 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.1 m -111.67 107.7 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.52 109.967 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -151.53 177.71 10.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.288 -0.415 . . . . 0.7 110.236 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -100.71 109.09 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.215 -0.661 . . . . 0.59 109.215 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -155.99 107.62 2.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.809 -0.441 . . . . 2.01 109.809 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -80.47 118.3 71.79 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.017 -0.538 . . . . 1.47 110.693 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.05 -19.05 45.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.848 2.365 . . . . 0.9 112.667 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -72.55 -17.81 61.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.359 0.6 . . . . 3.06 110.189 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.95 -17.47 35.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.275 -0.875 . . . . 1.53 110.343 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -105.25 -48.9 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.738 -0.665 . . . . 2.18 110.888 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.31 120.42 70.48 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 2.15 110.628 -175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.87 40.58 0.95 Allowed 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 123.179 2.586 . . . . 2.78 112.711 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.474 -0.774 . . . . 3.41 110.064 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.894 -0.482 . . . . 8.64 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.79 62.82 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.309 0.576 . . . . 6.19 111.107 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -138.37 160.38 39.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.373 -0.83 . . . . 9.51 108.833 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.26 115.09 5.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.238 0.542 . . . . 8.26 110.927 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -85.76 153.21 22.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.67 -0.695 . . . . 5.02 110.512 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 7' ' ' PHE . . . -148.78 174.37 28.44 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.87 -0.681 . . . . 2.27 111.735 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 43.0 m-85 74.96 -60.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.479 0.712 . . . . 2.85 111.26 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.1 mm? -113.22 133.4 22.09 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 116.447 -0.342 . . . . 1.36 110.904 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 25.3 Cg_exo -62.0 165.63 14.01 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.864 2.376 . . . . 0.89 111.736 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -61.35 130.56 46.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.326 0.584 . . . . 2.59 110.682 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.408 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.85 -22.89 38.27 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.627 -0.715 . . . . 0.59 111.819 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -89.63 136.74 32.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.84 0.352 . . . . 0.51 110.685 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.7 138.63 52.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.239 -0.437 . . . . 2.45 110.054 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.53 128.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.286 0.565 . . . . 0.79 110.895 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mmm180 -123.63 133.38 53.94 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.394 -0.595 . . . . 2.74 109.394 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -90.98 123.23 34.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.859 0.361 . . . . 0.86 110.386 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.3 151.0 53.14 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.13 -0.486 . . . . 0.46 109.954 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 52.7 Cg_exo -55.5 -15.16 11.3 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.557 2.838 . . . . 0.76 113.655 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -82.27 -9.47 59.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 1.1 111.259 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.88 6.97 57.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.65 113.027 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.02 138.47 20.39 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.921 0.391 . . . . 2.43 110.801 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.13 129.39 4.54 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.502 2.135 . . . . 0.57 112.174 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -110.16 161.02 15.97 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.229 -1.026 . . . . 1.28 108.229 172.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 8' ' ' LEU . 29.0 m-85 -123.37 126.69 47.29 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.63 -0.428 . . . . 1.57 110.711 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.91 130.62 58.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 0.38 110.89 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.33 121.69 33.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.4 -0.818 . . . . 1.25 110.1 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -94.34 -1.12 54.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.406 -0.361 . . . . 0.69 111.003 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 63.8 m-80 -71.32 -51.83 22.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.66 110.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.2 t -124.54 11.73 8.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.22 -0.445 . . . . 1.42 110.746 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 66.11 58.84 0.71 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.413 -0.812 . . . . 2.53 111.429 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.7 m -115.11 119.91 38.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 1.27 110.985 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -112.34 114.4 27.12 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.582 -0.525 . . . . 0.52 109.582 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -152.93 153.2 32.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.696 0.284 . . . . 0.7 110.462 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -83.57 108.56 16.76 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.968 -0.753 . . . . 0.59 108.968 171.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -157.87 160.39 37.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.008 -1.108 . . . . 2.01 108.008 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.74 92.85 31.18 Favored Pre-proline 0 C--N 1.319 -0.734 0 C-N-CA 120.404 -0.519 . . . . 1.47 110.281 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.79 -15.99 52.16 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.019 2.479 . . . . 0.9 112.821 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -69.46 -30.73 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.25 0.548 . . . . 3.06 110.201 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.2 mt -79.85 -16.69 54.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.397 -0.82 . . . . 1.53 110.861 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -103.67 -48.93 3.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.783 -0.644 . . . . 2.18 110.42 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.07 131.44 22.68 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.72 . . . . 2.15 110.267 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.23 71.73 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.676 2.251 . . . . 2.78 111.991 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.946 -0.55 . . . . 3.41 110.596 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.879 -0.488 . . . . 8.64 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -116.86 27.84 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.764 0.316 . . . . 6.19 110.795 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -44.04 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 9.51 109.915 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -80.55 -19.19 46.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 8.26 109.999 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -78.25 -12.22 59.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.69 -0.686 . . . . 5.02 109.587 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 1.47 59.36 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.34 -0.845 . . . . 2.27 111.433 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -75.87 -18.07 59.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.594 0.712 . . . . 2.85 109.682 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -136.09 170.82 10.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 1.36 109.929 -176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 162.1 16.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.247 1.965 . . . . 0.89 111.44 172.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.8 127.88 34.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.93 -0.577 . . . . 2.59 110.765 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 100.04 -20.72 47.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.59 112.264 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -85.83 147.85 26.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 0.51 110.944 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -144.12 135.11 25.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.795 -0.639 . . . . 2.45 110.309 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.24 135.14 42.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.79 110.401 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -135.83 142.97 44.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.423 -0.353 . . . . 2.74 110.544 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.58 132.6 35.63 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.238 -0.437 . . . . 0.86 110.457 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 164.99 31.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.077 -0.51 . . . . 0.46 109.813 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_exo -47.63 -34.45 20.66 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.697 2.265 . . . . 0.76 113.206 177.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -69.02 -15.47 63.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 1.1 112.094 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.34 63.48 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.905 -0.665 . . . . 0.65 112.348 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -91.36 130.73 38.61 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 109.611 -0.514 . . . . 2.43 109.611 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.99 131.91 9.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.473 2.115 . . . . 0.57 112.826 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 52.3 p90 -106.9 156.69 18.43 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.734 -0.839 . . . . 1.28 108.734 172.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -119.7 121.68 39.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.179 0.514 . . . . 1.57 110.719 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -115.23 124.32 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.585 -0.734 . . . . 0.38 111.041 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.88 119.59 27.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.137 -0.938 . . . . 1.25 109.813 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -90.96 -4.33 56.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.536 -0.302 . . . . 0.69 110.994 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 56.9 m-80 -70.46 -54.17 13.38 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.66 110.175 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -119.96 12.23 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.977 -0.556 . . . . 1.42 111.611 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 63.15 56.19 1.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.354 -0.839 . . . . 2.53 111.415 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.9 m -116.49 120.1 37.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.068 -0.515 . . . . 1.27 110.801 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -110.49 130.61 55.52 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.763 -0.458 . . . . 0.52 109.763 175.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -154.06 150.02 27.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.369 -0.378 . . . . 0.7 110.331 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 23' ' ' PHE . 89.2 m95 -91.96 105.71 17.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.682 -0.859 . . . . 0.59 108.682 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -158.72 178.94 9.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.138 -0.937 . . . . 2.01 108.648 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' OD1' ' HG ' ' A' ' 39' ' ' LEU . 10.7 t70 -119.22 94.06 47.83 Favored Pre-proline 0 C--N 1.317 -0.823 0 N-CA-C 109.598 -0.519 . . . . 1.47 109.598 171.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.18 -15.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.966 2.444 . . . . 0.9 112.78 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -80.95 -31.44 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.103 0.478 . . . . 3.06 110.428 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 70.2 mt -76.03 -16.7 59.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.532 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.24 -38.8 7.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.55 -0.75 . . . . 2.18 110.499 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -122.15 123.47 27.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 2.15 110.383 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.32 83.6 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.645 2.23 . . . . 2.78 111.944 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.623 -0.703 . . . . 3.41 110.656 -179.368 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.132 -0.387 . . . . 8.64 112.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m 57.45 52.72 8.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.345 0.593 . . . . 6.19 111.419 178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.46 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 65.3 mtt -130.94 16.71 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.639 . . . . 9.51 109.525 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -105.72 1.12 26.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.37 -0.832 . . . . 8.26 111.287 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -110.92 19.97 17.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.079 -0.51 . . . . 5.02 110.429 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.82 172.7 23.91 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.831 -0.7 . . . . 2.27 112.483 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -80.12 -19.12 48.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.337 0.589 . . . . 2.85 109.904 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 93.2 mt -126.47 175.0 3.55 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.269 -0.878 . . . . 1.36 109.998 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.9 Cg_exo -58.63 172.12 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.538 2.159 . . . . 0.89 112.631 175.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 51.2 pttt -54.61 130.11 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 2.59 111.793 -176.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.23 -14.6 49.21 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.88 -0.676 . . . . 0.59 112.738 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -95.8 135.73 37.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.133 0.492 . . . . 0.51 111.039 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -132.52 140.7 48.44 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.877 -0.602 . . . . 2.45 109.826 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -100.36 133.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.058 0.456 . . . . 0.79 109.916 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -136.44 144.08 44.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.99 -0.55 . . . . 2.74 110.093 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -92.4 127.62 37.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.747 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.5 166.74 37.79 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.877 -0.601 . . . . 0.46 109.961 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.33 -33.22 54.91 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.337 2.024 . . . . 0.76 112.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.31 -3.71 41.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.1 111.85 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.07 -9.46 70.16 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.144 -0.551 . . . . 0.65 112.84 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -76.99 132.28 71.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 2.43 110.795 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -81.49 125.12 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.206 1.938 . . . . 0.57 111.87 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -108.41 160.64 15.72 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.589 -0.523 . . . . 1.28 109.589 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' HD1' HD11 ' A' ' 8' ' ' LEU . 28.4 m-85 -115.15 115.82 27.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 1.57 110.486 -171.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 tt -106.54 129.93 59.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.259 0.552 . . . . 0.38 110.943 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.56 118.56 35.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.213 -0.903 . . . . 1.25 110.116 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -89.19 -8.13 54.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.465 -0.334 . . . . 0.69 110.718 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -68.7 -43.45 76.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.758 0.313 . . . . 0.66 110.518 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.0 p -116.34 1.97 13.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.34 0.59 . . . . 1.42 110.742 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 21.2 tptm 61.4 59.85 1.82 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 114.764 -1.107 . . . . 2.53 111.38 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -126.35 155.61 41.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.851 -0.613 . . . . 1.27 110.087 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.3 m -131.54 117.63 19.03 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.039 0.447 . . . . 0.52 110.102 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -152.07 161.86 41.98 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.209 -0.663 . . . . 0.7 109.209 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.32 105.11 17.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.78 -0.822 . . . . 0.59 108.78 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -159.8 110.57 1.94 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.662 . . . . 2.01 109.398 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -70.08 112.24 11.88 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.653 -0.499 . . . . 1.47 109.653 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.39 -17.33 49.25 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.4 2.067 . . . . 0.9 112.008 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -83.07 -10.79 58.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.221 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -91.56 -24.82 19.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 1.53 110.572 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 4.1 mptp? -98.1 -38.71 9.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 2.18 110.077 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -98.09 136.61 20.96 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.488 -0.778 . . . . 2.15 108.94 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.35 72.11 0.4 Allowed 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.506 2.137 . . . . 2.78 112.421 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.465 -0.779 . . . . 3.41 110.425 179.583 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.088 -0.405 . . . . 8.64 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -131.1 116.1 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.164 0.507 . . . . 6.19 110.701 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.26 -21.74 61.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.06 -0.518 . . . . 9.51 110.795 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.16 -26.91 65.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.548 -0.296 . . . . 8.26 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.11 -13.37 33.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 5.02 110.066 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.94 31.44 5.69 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.361 -0.836 . . . . 2.27 111.193 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.74 -39.5 76.74 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.957 -0.757 . . . . 2.85 108.957 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -112.26 156.98 41.23 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.798 -1.092 . . . . 1.36 108.919 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.74 147.43 88.12 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.43 2.086 . . . . 0.89 111.487 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -51.72 119.49 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.769 -0.65 . . . . 2.59 111.138 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 110.47 -17.8 28.15 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.378 -0.828 . . . . 0.59 112.054 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -98.72 145.41 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.903 0.382 . . . . 0.51 111.165 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.07 145.52 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 2.45 110.114 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -99.84 134.45 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.09 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -133.36 138.55 46.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.261 -0.427 . . . . 2.74 110.663 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -81.65 126.02 31.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.394 -0.367 . . . . 0.86 110.326 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.71 48.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.48 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -49.49 -36.55 39.85 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.882 2.388 . . . . 0.76 113.406 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -70.5 -9.74 57.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.402 . . . . 1.1 111.433 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.61 6.62 58.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.65 112.918 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -108.03 133.47 20.49 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.026 -0.361 . . . . 2.43 110.026 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.65 132.37 12.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.57 2.18 . . . . 0.57 112.838 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 45.6 p90 -112.15 165.01 12.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.891 -0.781 . . . . 1.28 108.891 174.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 89.7 m-85 -119.73 122.08 40.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.13 0.49 . . . . 1.57 110.878 -174.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 tt -108.0 135.79 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.613 -0.721 . . . . 0.38 110.805 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 1.9 t70 -108.38 125.39 51.68 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.117 -0.947 . . . . 1.25 110.16 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -94.53 -5.32 46.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.921 -0.582 . . . . 0.69 110.813 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 62.0 m-80 -74.26 -57.11 4.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.66 110.782 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 t -114.28 6.83 16.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.886 -0.597 . . . . 1.42 109.831 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 68.06 49.22 0.89 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.057 -0.974 . . . . 2.53 110.756 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 26' ' ' ASP . 32.4 m -99.05 143.77 28.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.517 -0.765 . . . . 1.27 110.527 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -145.57 105.18 3.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.376 -0.601 . . . . 0.52 109.376 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -148.16 162.51 39.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.7 109.931 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 23' ' ' PHE . 80.1 m95 -90.35 106.15 18.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.802 -0.814 . . . . 0.59 108.802 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -158.24 88.53 0.95 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.123 -0.695 . . . . 2.01 109.123 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 9.7 t0 -68.08 109.51 4.07 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.945 -0.571 . . . . 1.47 110.624 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.37 -22.07 73.57 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.936 2.424 . . . . 0.9 112.391 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -73.95 -16.16 61.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 3.06 110.74 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.41 -10.0 57.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.896 -0.593 . . . . 1.53 110.479 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -116.39 -54.14 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 2.18 109.732 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.16 113.52 63.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.933 -1.03 . . . . 2.15 110.127 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.33 110.24 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.787 2.325 . . . . 2.78 112.05 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.538 -0.744 . . . . 3.41 110.089 178.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.088 -0.405 . . . . 8.64 112.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 58.34 31.31 20.73 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.106 0.479 . . . . 6.19 111.481 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm -107.99 -4.57 17.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 9.51 109.305 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 10' ' ' LYS . 8.8 pt-20 -110.09 10.96 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.445 -0.798 . . . . 8.26 111.29 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.27 174.2 13.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.707 0.289 . . . . 5.02 111.199 -176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.63 -70.87 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.139 -0.784 . . . . 2.27 111.139 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 8' ' ' LEU . 69.9 m-85 -109.38 -57.32 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.336 -0.616 . . . . 2.85 109.336 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD22 ' C ' ' A' ' 7' ' ' PHE . 4.0 mm? -122.25 158.56 55.32 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.254 -0.884 . . . . 1.36 109.722 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.07 168.24 11.06 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.671 2.247 . . . . 0.89 112.129 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 13.3 ptmm? -62.56 135.94 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.577 . . . . 2.59 110.779 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.2 -22.96 31.87 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.672 -0.694 . . . . 0.59 111.885 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -90.88 155.3 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.51 110.636 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -156.39 133.63 10.63 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.906 -0.588 . . . . 2.45 109.638 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -98.45 127.79 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.381 0.61 . . . . 0.79 109.759 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.3 mtp180 -121.25 129.9 53.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.095 -0.502 . . . . 2.74 110.266 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -92.43 117.65 30.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.159 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.15 163.51 64.94 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.041 -0.527 . . . . 0.46 109.968 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.23 -36.85 30.34 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.55 2.167 . . . . 0.76 113.011 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -69.41 -10.47 58.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.941 0.349 . . . . 1.1 111.941 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.39 -1.32 60.34 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.065 -0.588 . . . . 0.65 113.191 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.19 134.92 29.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.917 0.389 . . . . 2.43 110.855 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 51.7 Cg_endo -89.69 126.4 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.045 2.497 . . . . 0.57 113.477 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.69 155.68 20.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.576 -0.898 . . . . 1.28 108.576 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -116.37 131.66 56.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.275 0.56 . . . . 1.57 111.427 -172.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.6 tt -117.34 128.44 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.495 -0.775 . . . . 0.38 110.425 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -108.33 114.95 29.22 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.689 -0.687 . . . . 1.25 110.006 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.33 -9.54 58.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.018 -0.537 . . . . 0.69 110.68 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.57 -52.03 43.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.66 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.6 p -103.92 3.16 33.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.321 0.581 . . . . 1.42 110.954 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 61.54 59.29 1.88 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.752 -1.113 . . . . 2.53 110.824 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -132.93 146.46 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.922 0.391 . . . . 1.27 110.825 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 m -131.36 117.08 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.385 -0.371 . . . . 0.52 110.075 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -153.78 159.98 42.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.503 -0.317 . . . . 0.7 110.398 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -83.38 106.02 14.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.477 -0.934 . . . . 0.59 108.477 172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -160.45 98.79 1.28 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.45 -0.796 . . . . 2.01 109.569 -175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -80.93 107.85 8.61 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.841 -0.429 . . . . 1.47 109.841 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.66 -16.03 45.81 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.529 2.153 . . . . 0.9 111.951 -175.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -82.62 -15.31 52.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.866 -0.606 . . . . 3.06 110.211 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -89.29 -19.28 25.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.776 . . . . 1.53 110.04 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.79 -51.86 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.964 -0.754 . . . . 2.18 108.964 173.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -113.22 104.96 55.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.168 -0.923 . . . . 2.15 109.485 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.08 121.6 10.19 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.996 2.464 . . . . 2.78 112.244 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.595 -0.717 . . . . 3.41 110.264 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.796 -0.522 . . . . 8.64 111.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -79.95 58.99 3.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.066 0.46 . . . . 6.19 112.129 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 mmt -99.22 110.04 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.704 -0.48 . . . . 9.51 109.704 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 59.01 32.03 21.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.65 -0.705 . . . . 8.26 110.811 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.89 -27.58 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.513 -0.767 . . . . 5.02 108.992 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.93 138.58 14.91 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.073 -0.967 . . . . 2.27 111.344 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.91 -18.89 31.49 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.599 0.714 . . . . 2.85 109.686 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 56.6 mt -118.59 178.47 1.05 Allowed Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 1.36 110.323 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' HB3' ' A' ' 8' ' ' LEU . 51.0 Cg_exo -58.44 171.42 1.87 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.221 1.947 . . . . 0.89 112.421 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.5 128.44 37.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 2.59 111.269 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 93.11 -25.76 18.47 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.734 -0.667 . . . . 0.59 112.526 178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.3 135.7 35.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.928 0.394 . . . . 0.51 110.599 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -135.38 130.47 34.96 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.823 -0.626 . . . . 2.45 110.677 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.86 127.98 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.137 0.494 . . . . 0.79 111.041 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 39.5 mtp85 -131.65 129.94 41.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.187 -0.671 . . . . 2.74 109.187 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -73.68 120.61 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.744 0.306 . . . . 0.86 111.467 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.05 166.34 37.69 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.678 -0.49 . . . . 0.46 109.678 175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -50.14 -31.64 29.22 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.519 2.146 . . . . 0.76 113.616 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -74.1 -8.06 54.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 1.1 111.499 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.01 0.67 63.55 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.898 -0.668 . . . . 0.65 112.363 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -104.82 134.1 19.82 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.455 -0.572 . . . . 2.43 109.455 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 57.3 Cg_endo -73.73 126.31 10.67 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.113 1.875 . . . . 0.57 112.069 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 15' ' ' ARG . 45.5 p90 -86.76 155.82 20.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.481 -0.933 . . . . 1.28 108.481 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -112.09 108.3 17.54 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.453 0.644 . . . . 1.57 111.279 -169.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 tt -107.26 121.88 60.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.266 -0.879 . . . . 0.38 110.433 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 29' ' ' THR . 14.7 t70 -90.79 120.64 32.0 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.634 -0.712 . . . . 1.25 109.887 175.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -88.46 -1.25 57.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.287 -0.415 . . . . 0.69 111.383 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.6 m-80 -75.16 -61.94 1.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.288 0.566 . . . . 0.66 109.894 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.3 t -103.95 7.01 36.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.652 -0.704 . . . . 1.42 110.404 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 59.91 58.27 2.82 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 114.811 -1.086 . . . . 2.53 111.072 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.7 m -125.57 122.21 35.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.986 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 m -107.08 114.97 29.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 0.52 109.926 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -151.25 152.65 33.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 0.7 109.968 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -88.28 106.22 18.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 120.066 -0.654 . . . . 0.59 109.58 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -159.66 100.57 1.46 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.551 -0.907 . . . . 2.01 108.551 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' HB2' ' A' ' 38' ' ' ARG . 14.1 t70 -66.67 110.22 4.6 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.243 0.339 . . . . 1.47 111.057 -174.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ASP . 15.1 Cg_exo -68.37 -15.7 42.5 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.807 2.338 . . . . 0.9 112.472 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 36' ' ' ASP . 19.1 mtp180 -78.64 -21.64 48.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.339 0.59 . . . . 3.06 109.896 -175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HG ' ' OD1' ' A' ' 36' ' ' ASP . 89.2 mt -78.45 -17.76 55.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.389 -0.823 . . . . 1.53 110.79 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.89 -48.29 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 2.18 110.503 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.04 132.37 30.98 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.535 -0.757 . . . . 2.15 109.75 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.79 67.08 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.063 2.508 . . . . 2.78 112.434 175.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.609 -0.71 . . . . 3.41 109.887 178.712 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.046 -0.422 . . . . 8.64 112.046 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m 55.78 45.04 25.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.263 0.554 . . . . 6.19 111.004 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -115.89 66.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 9.51 110.316 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 59.33 51.66 6.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.91 -1.041 . . . . 8.26 111.028 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -81.26 12.02 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.436 -0.802 . . . . 5.02 111.085 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.45 -44.4 0.99 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.17 -0.538 . . . . 2.27 111.861 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -63.14 -39.02 93.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.285 0.564 . . . . 2.85 109.569 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 12' ' ' TRP . 3.2 mm? -118.37 170.83 5.86 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.126 -0.943 . . . . 1.36 109.028 173.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 12' ' ' TRP . 37.6 Cg_exo -60.59 147.87 93.15 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 121.698 1.599 . . . . 0.89 110.824 171.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -53.54 110.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.644 0.735 . . . . 2.59 111.99 -175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 116.29 -20.48 12.52 Favored Glycine 0 N--CA 1.44 -1.051 0 CA-C-N 115.458 -0.792 . . . . 0.59 111.988 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . 75.1 m95 -88.34 141.16 28.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.895 0.378 . . . . 0.51 110.873 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -133.31 135.84 45.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.87 -0.604 . . . . 2.45 109.828 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.205 0.526 . . . . 0.79 110.808 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -134.48 138.45 44.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.938 -0.574 . . . . 2.74 110.168 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.61 128.15 42.23 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.774 0.321 . . . . 0.86 110.374 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -84.77 168.05 23.18 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.088 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 86.4 Cg_exo -47.78 -34.39 21.45 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.708 2.272 . . . . 0.76 113.127 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -67.97 -13.71 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.1 111.819 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.85 66.68 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.112 -0.566 . . . . 0.65 112.372 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -86.38 140.73 34.22 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-O 120.855 0.36 . . . . 2.43 110.517 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 96.0 Cg_endo -86.08 125.63 2.69 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.576 2.184 . . . . 0.57 112.789 177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -108.6 158.94 17.13 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.071 -1.085 . . . . 1.28 108.071 172.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -122.45 127.53 49.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.158 0.504 . . . . 1.57 111.139 -172.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 tt -113.43 135.28 53.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.38 110.465 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 9.1 t70 -99.95 131.97 45.59 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.687 -0.688 . . . . 1.25 110.137 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -91.44 -4.14 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.69 111.248 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 47.1 m-80 -74.49 -60.1 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.66 110.508 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 t -105.3 3.26 29.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 1.42 110.333 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 26.2 tptp 58.14 59.11 3.2 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 114.656 -1.156 . . . . 2.53 110.923 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 26' ' ' ASP . 12.2 t -116.89 145.65 43.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.891 -0.595 . . . . 1.27 110.389 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -124.8 121.48 34.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.52 109.666 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -146.47 155.13 42.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.777 0.322 . . . . 0.7 110.544 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -91.9 108.3 19.83 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.223 0.535 . . . . 0.59 109.663 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.95 171.71 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.46 -1.311 . . . . 2.01 107.46 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -121.53 97.09 47.21 Favored Pre-proline 0 C--N 1.317 -0.845 0 C-N-CA 120.511 -0.476 . . . . 1.47 109.741 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -63.95 -17.01 58.13 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.094 2.529 . . . . 0.9 112.66 -177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -79.59 -20.51 46.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.996 0.427 . . . . 3.06 110.541 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -79.6 -25.18 41.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 1.53 110.49 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -97.12 -42.71 7.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.807 -0.633 . . . . 2.18 110.443 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.8 mt -115.23 104.28 53.75 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.722 -0.672 . . . . 2.15 110.445 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -88.65 46.47 1.07 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.217 2.611 . . . . 2.78 112.12 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.345 -0.836 . . . . 3.41 110.458 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.695 -0.562 . . . . 8.64 111.695 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -133.02 32.97 3.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.153 0.501 . . . . 6.19 110.127 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.46 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -56.75 113.43 1.64 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.812 -0.631 . . . . 9.51 110.073 177.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 44.02 34.44 0.95 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.011 -0.995 . . . . 8.26 112.318 -173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 3' ' ' MET . 75.0 mt-30 -110.48 13.13 22.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.355 0.598 . . . . 5.02 109.633 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.91 -5.47 6.93 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.552 -0.749 . . . . 2.27 111.465 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 30.4 t80 76.36 -49.57 0.58 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.823 0.849 . . . . 2.85 110.647 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.71 162.27 23.75 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.293 -0.632 . . . . 1.36 109.293 176.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.29 156.78 33.57 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.154 1.903 . . . . 0.89 111.45 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.71 126.06 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.252 0.549 . . . . 2.59 111.178 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' ND2' ' A' ' 28' ' ' ASN . . . 99.79 -26.79 23.07 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.657 -0.701 . . . . 0.59 112.011 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -80.51 144.06 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.824 0.345 . . . . 0.51 110.362 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.83 136.31 30.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.699 -0.682 . . . . 2.45 109.798 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.65 135.16 46.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.142 0.496 . . . . 0.79 110.663 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 79.0 mtp180 -139.08 147.38 41.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 2.74 110.063 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -90.25 123.81 34.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.851 0.358 . . . . 0.86 110.693 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -73.29 171.07 11.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.46 110.42 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 87.8 Cg_exo -50.65 -33.45 39.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.366 2.044 . . . . 0.76 112.977 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -75.49 -8.72 57.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 1.1 111.664 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 -6.79 75.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.049 -0.596 . . . . 0.65 112.582 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -84.64 131.94 48.18 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.451 -0.574 . . . . 2.43 109.451 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 74.5 Cg_endo -78.65 126.23 7.27 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.372 2.048 . . . . 0.57 112.812 -178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.84 163.13 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.931 -0.766 . . . . 1.28 108.931 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -121.02 115.82 23.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.371 0.605 . . . . 1.57 110.925 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.25 126.91 61.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.692 -0.685 . . . . 0.38 110.361 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' OD2' HG22 ' A' ' 29' ' ' THR . 22.9 t70 -97.42 115.37 27.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.536 -0.756 . . . . 1.25 109.895 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -85.07 0.7 50.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.044 -0.526 . . . . 0.69 110.859 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' HA3' ' A' ' 11' ' ' GLY . 57.5 m-80 -76.16 -63.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.872 -0.418 . . . . 0.66 109.872 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 26' ' ' ASP . 9.6 t -94.23 -0.93 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.157 0.503 . . . . 1.42 110.628 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt 66.34 60.08 0.63 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.172 -0.922 . . . . 2.53 111.168 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -134.81 158.55 43.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 1.27 110.841 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 m -128.6 119.55 24.97 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.534 -0.543 . . . . 0.52 109.534 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -145.76 165.48 28.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.209 -0.293 . . . . 0.7 110.209 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -104.25 104.39 14.29 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.16 -0.681 . . . . 0.59 109.16 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -160.46 96.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.641 -0.709 . . . . 2.01 109.571 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 9.8 t70 -64.19 112.43 7.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 1.47 110.513 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 27.8 Cg_exo -63.75 -15.88 51.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.038 2.492 . . . . 0.9 113.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' CE2' ' A' ' 7' ' ' PHE . 73.1 mtm180 -84.99 -43.29 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.245 0.545 . . . . 3.06 110.125 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -88.99 -35.12 16.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.259 -0.882 . . . . 1.53 111.933 -171.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -90.96 -28.76 17.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 2.18 110.879 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 37' ' ' PRO . 62.1 mt -107.57 133.93 20.21 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.713 -0.676 . . . . 2.15 109.458 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.88 68.24 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.744 2.296 . . . . 2.78 112.185 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.723 -0.656 . . . . 3.41 110.002 177.161 . . . . . . . . 0 0 . 1 stop_ save_