data_6dmz_residue ############################ # Computer software used # ############################ 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 6dmz _Structure_validation_residue.Date_analyzed 2019-05-10 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 ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.429 -1.52 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.54 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.548 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.466 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HE ' ' HG2' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HE ' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.441 -0.92 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' ARG . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' PHE . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.431 -1.388 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.534 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.433 -1.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.427 -1.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.595 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 83.0 mm-40 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 3.8 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' ARG . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' PHE . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 30' ' ' PRO . 65.7 m80 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.462 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD13 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH1' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.425 -1.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.514 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.435 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.546 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.543 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.568 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.445 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -96.17 123.61 39.86 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -98.64 149.31 22.93 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.54 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.548 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -84.98 114.69 22.34 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.427 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.466 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -87.42 142.49 27.83 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HE ' ' HG2' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HE ' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p -83.43 119.03 24.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' ARG . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' PHE . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 120.719 0.295 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p -87.76 137.05 32.67 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -87.4 125.48 34.3 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -98.6 147.36 24.89 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.534 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.515 0.198 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -123.66 144.77 49.42 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -135.5 169.26 17.79 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.988 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -90.73 153.16 20.47 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 1' ' ' ARG . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 CA--C 1.493 -1.237 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p -104.11 109.44 21.24 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.504 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -135.61 147.12 48.55 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.595 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -85.42 113.44 21.71 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 . . . . . 0 C--O 1.236 0.348 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p -109.17 117.73 34.89 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 83.0 mm-40 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -92.69 166.82 12.28 Favored 'General case' 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 3.8 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' ARG . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' PHE . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 30' ' ' PRO . 65.7 m80 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 . . . . . 0 CA--C 1.497 -1.093 0 CA-C-O 120.902 0.382 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -95.8 154.96 16.95 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.462 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD13 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH1' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 120.981 0.419 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p -105.93 165.17 11.39 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.514 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.559 0.219 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -135.49 159.55 41.24 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.435 ' OE1' ' HD3' ' A' ' 35' ' ' ARG . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.546 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.543 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.236 0.389 0 CA-C-O 120.9 0.381 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -99.49 134.18 42.74 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.568 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.445 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.429 -1.52 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.524 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.554 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' N ' ' A' ' 32' ' ' GLY . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 21' ' ' ALA . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.475 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD13 ' A' ' 15' ' ' LEU . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' PRO . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.441 -0.92 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 10' ' ' PHE . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 23' ' ' VAL . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' HG21 ' A' ' 23' ' ' VAL . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 9' ' ' ARG . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.482 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' PHE . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.431 -1.388 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HA ' HG11 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.503 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HB2' HD23 ' A' ' 15' ' ' LEU . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 13' ' ' PRO . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 10' ' ' PHE . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 40' ' ' ARG . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.433 -1.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.427 -1.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD13 ' A' ' 15' ' ' LEU . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 13' ' ' PRO . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.608 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 3' ' ' CYS . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 11.8 mm100 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.2 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.531 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HA ' ' NH2' ' A' ' 25' ' ' ARG . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.425 -1.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.55 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 9' ' ' ARG . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.555 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.561 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.561 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -96.17 123.61 39.86 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.524 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -98.64 149.31 22.93 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.554 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' N ' ' A' ' 32' ' ' GLY . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 21' ' ' ALA . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -84.98 114.69 22.34 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.427 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.475 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD13 ' A' ' 15' ' ' LEU . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' PRO . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -87.42 142.49 27.83 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p -83.43 119.03 24.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 10' ' ' PHE . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 120.719 0.295 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p -87.76 137.05 32.67 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 23' ' ' VAL . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' HG21 ' A' ' 23' ' ' VAL . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 9' ' ' ARG . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -87.4 125.48 34.3 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' PHE . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -98.6 147.36 24.89 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HA ' HG11 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.515 0.198 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -123.66 144.77 49.42 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.503 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HB2' HD23 ' A' ' 15' ' ' LEU . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 13' ' ' PRO . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 10' ' ' PHE . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 40' ' ' ARG . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -135.5 169.26 17.79 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.988 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -90.73 153.16 20.47 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 1' ' ' ARG . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 CA--C 1.493 -1.237 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p -104.11 109.44 21.24 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD13 ' A' ' 15' ' ' LEU . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 13' ' ' PRO . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -135.61 147.12 48.55 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.608 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 3' ' ' CYS . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -85.42 113.44 21.71 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 . . . . . 0 C--O 1.236 0.348 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p -109.17 117.73 34.89 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 11.8 mm100 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -92.69 166.82 12.28 Favored 'General case' 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.2 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.531 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HA ' ' NH2' ' A' ' 25' ' ' ARG . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 . . . . . 0 CA--C 1.497 -1.093 0 CA-C-O 120.902 0.382 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -95.8 154.96 16.95 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 120.981 0.419 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p -105.93 165.17 11.39 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.55 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 9' ' ' ARG . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.559 0.219 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -135.49 159.55 41.24 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.555 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.561 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.561 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.236 0.389 0 CA-C-O 120.9 0.381 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -99.49 134.18 42.74 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.429 -1.52 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.524 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.554 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' N ' ' A' ' 32' ' ' GLY . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 21' ' ' ALA . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.475 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD13 ' A' ' 15' ' ' LEU . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' PRO . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.441 -0.92 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 10' ' ' PHE . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 23' ' ' VAL . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' HG21 ' A' ' 23' ' ' VAL . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 9' ' ' ARG . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.482 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' PHE . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.431 -1.388 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HA ' HG11 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.503 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HB2' HD23 ' A' ' 15' ' ' LEU . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 13' ' ' PRO . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 10' ' ' PHE . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 40' ' ' ARG . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.433 -1.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.427 -1.609 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD13 ' A' ' 15' ' ' LEU . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 13' ' ' PRO . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.608 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 3' ' ' CYS . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 83.0 mm-40 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 3.8 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.531 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HA ' ' NH2' ' A' ' 25' ' ' ARG . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 30' ' ' PRO . 65.7 m80 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.425 -1.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.55 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 9' ' ' ARG . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.555 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.561 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.561 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -96.17 123.61 39.86 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.1 m -121.9 127.69 50.72 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.6 mt-30 -109.58 119.88 40.79 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.335 0.588 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -117.25 136.05 53.37 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 10.5 pt20 -70.75 145.37 50.49 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 112.42 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 3.0 m -75.82 106.79 7.59 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.318 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -71.98 -42.05 66.95 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.171 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -85.61 9.16 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.157 0.503 . . . . 0.0 111.687 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 83.0 t80 -75.7 149.9 38.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.304 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -130.97 144.39 51.44 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 -170.59 54.73 Favored Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.09 166.66 6.89 Favored 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 122.418 2.079 . . . . 0.0 110.743 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.8 11.57 3.81 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.66 -49.77 69.79 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.018 0.527 . . . . 0.0 110.881 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 30.6 tpt180 -83.43 98.51 9.54 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 175.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -66.16 -23.25 66.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.893 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -57.74 -44.2 85.9 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 122.983 0.513 . . . . 0.0 109.885 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -69.03 -34.85 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.514 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.93 -50.86 62.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.239 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.38 92.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.292 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -56.99 -49.64 75.14 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 123.375 0.422 . . . . 0.0 112.071 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.09 -47.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.316 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.6 m -62.29 -42.32 99.25 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.36 -35.14 68.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.691 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -69.45 -33.47 72.98 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.614 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.09 -2.88 39.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.42 31.13 7.69 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 114.467 0.547 . . . . 0.0 114.467 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -114.91 153.91 47.01 Favored Pre-proline 0 C--N 1.308 -1.201 0 CA-C-N 116.69 0.245 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -60.43 -51.38 5.34 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.932 2.422 . . . . 0.0 112.985 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.28 165.19 33.75 Favored Glycine 0 N--CA 1.435 -1.382 0 C-N-CA 119.99 -1.1 . . . . 0.0 112.395 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.39 135.77 11.12 Favored Glycine 0 CA--C 1.492 -1.357 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.97 172.1 13.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.35 134.52 34.27 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.524 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 7.9 tpm_? -152.38 -8.69 0.19 Allowed 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.59 159.35 23.94 Favored Glycine 0 C--N 1.315 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.926 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -71.52 -38.46 71.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -86.42 21.74 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.102 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 57.2 59.48 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.344 1.057 . . . . 0.0 111.281 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -100.66 135.48 42.03 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.93 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -69.4 133.19 47.48 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 10.4 m-85 -122.16 120.03 33.03 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 123.377 0.671 . . . . 0.0 109.937 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.3 m -77.55 121.86 24.47 Favored 'General case' 0 C--N 1.277 -2.583 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.623 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -91.7 108.69 20.09 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 t -109.04 158.99 17.21 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -99.72 124.75 45.28 Favored 'General case' 0 C--N 1.273 -2.743 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.567 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.762 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -98.64 149.31 22.93 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -137.1 170.8 15.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.554 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 56.5 mt-30 -135.18 154.69 51.53 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.087 0.47 . . . . 0.0 110.753 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -137.78 143.58 41.16 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.44 130.91 45.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.477 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -64.23 147.35 52.59 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.922 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -104.67 -47.81 3.96 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.424 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 23' ' ' VAL . 14.8 ptp180 -91.75 20.32 5.67 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 120.928 0.394 . . . . 0.0 111.921 -175.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -94.68 138.83 32.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -123.78 129.39 50.98 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 120.962 0.41 . . . . 0.0 110.552 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.46 -165.34 18.04 Favored Glycine 0 N--CA 1.434 -1.464 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.763 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -90.72 157.46 4.2 Favored 'Trans proline' 0 N--CA 1.441 -1.562 0 C-N-CA 122.631 2.22 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.61 10.75 2.44 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.99 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -52.07 -40.86 61.8 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.499 0.666 . . . . 0.0 110.404 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -89.33 91.77 8.88 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.73 -23.0 62.37 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.106 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -66.68 -40.88 88.77 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.641 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.42 -47.41 79.24 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.23 -51.56 66.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.442 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' N ' ' A' ' 32' ' ' GLY . . . -65.83 -37.02 85.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.573 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -64.14 -50.67 67.3 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 9' ' ' ARG . 70.1 t -61.6 -46.55 96.33 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.917 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.2 m -62.28 -34.46 76.6 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.155 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.4 ttm180 -67.51 -39.87 85.14 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -67.21 -26.19 66.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.614 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -83.76 4.22 29.88 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.39 26.0 14.81 Favored Glycine 0 C--O 1.24 0.474 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.628 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 92.8 m-85 -114.8 158.11 41.34 Favored Pre-proline 0 C--N 1.302 -1.468 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -64.23 -46.45 7.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 121.894 1.729 . . . . 0.0 111.674 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.03 -177.7 31.37 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 21' ' ' ALA . . . -151.5 143.15 10.15 Favored Glycine 0 N--CA 1.426 -2.018 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -146.82 -179.42 6.78 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.2 m -80.11 150.14 30.36 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' ' 4' ' ' GLN . 6.0 tpm_? -114.6 -76.48 0.58 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.55 -179.57 47.93 Favored Glycine 0 N--CA 1.428 -1.877 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.89 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 72.6 t80 -80.53 -1.77 43.3 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.178 0.513 . . . . 0.0 111.054 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 71.2 mtm180 -91.82 11.75 23.74 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.332 -0.855 . . . . 0.0 112.76 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER 58.3 40.77 24.21 Favored 'General case' 0 C--O 1.248 0.987 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 172.015 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -95.86 139.27 32.3 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.336 -0.945 . . . . 0.0 108.51 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.44 123.77 26.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.8 m-85 -120.2 121.74 39.4 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.501 0.667 . . . . 0.0 110.345 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 57.7 m -80.4 129.24 34.38 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.888 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.6 m -82.62 128.53 34.41 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -135.18 175.96 9.1 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -110.44 137.77 47.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 122.123 -0.361 . . . . 0.0 111.153 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -84.98 114.69 22.34 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.427 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -105.65 142.51 35.25 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 20.9 mp0 -114.09 118.37 33.88 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -108.83 118.93 38.07 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 123.202 0.601 . . . . 0.0 109.914 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 9.9 tt0 -54.72 125.45 20.03 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.634 0.774 . . . . 0.0 112.367 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.475 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 p -81.22 120.0 24.33 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 121.754 0.788 . . . . 0.0 111.01 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -78.82 -42.02 28.71 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.962 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -80.78 12.17 3.39 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.819 0.342 . . . . 0.0 111.907 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -85.34 156.37 20.92 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -122.07 130.67 53.47 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.177 0.513 . . . . 0.0 111.217 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.86 -156.96 49.94 Favored Glycine 0 C--O 1.25 1.12 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.938 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD13 ' A' ' 15' ' ' LEU . 95.8 Cg_endo -83.5 160.87 14.75 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 123.117 2.545 . . . . 0.0 112.675 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -73.69 0.16 13.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.308 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' PRO . 9.8 mp -62.64 -30.17 71.16 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.441 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -82.91 78.18 9.53 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -63.67 -31.84 73.14 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 113.487 -1.688 . . . . 0.0 113.016 -172.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -66.99 -39.68 87.22 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.64 -40.86 69.42 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.36 -51.63 69.0 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.16 75.03 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.81 -50.94 61.0 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.428 0.291 . . . . 0.0 110.431 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.13 -50.77 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.148 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.92 -39.82 90.83 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.547 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.36 -46.47 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.291 0.237 . . . . 0.0 111.221 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -71.17 -27.35 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.558 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -80.16 -5.6 56.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.36 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.18 28.95 7.4 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.421 -0.419 . . . . 0.0 113.771 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 75.2 m-85 -118.77 138.12 25.64 Favored Pre-proline 0 C--N 1.304 -1.378 0 O-C-N 122.718 -0.284 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.04 -26.68 76.4 Favored 'Trans proline' 0 N--CA 1.482 0.851 0 C-N-CA 123.942 3.095 . . . . 0.0 114.238 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.46 -177.6 42.01 Favored Glycine 0 N--CA 1.434 -1.474 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.303 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.42 145.52 14.8 Favored Glycine 0 N--CA 1.43 -1.73 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -144.93 -178.91 6.27 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.896 0.379 . . . . 0.0 110.089 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.57 150.83 20.11 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.689 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -141.68 -50.93 0.41 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.89 139.65 46.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.543 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.82 -33.37 75.09 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 124.533 1.133 . . . . 0.0 111.149 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -81.88 6.81 14.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.508 0.671 . . . . 0.0 110.0 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 13' ' ' PRO . 35.6 mmt180 65.93 68.73 0.46 Allowed 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.678 1.591 . . . . 0.0 113.826 175.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 32.7 tpt180 -105.65 149.3 26.47 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.06 132.51 38.95 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 111.008 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.9 m-85 -126.61 118.44 24.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.672 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 74.2 m -71.14 131.64 43.86 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.337 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -87.64 124.82 33.93 Favored 'General case' 0 N--CA 1.417 -2.113 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.8 t -133.1 166.27 22.81 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -105.02 128.55 53.36 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 121.241 0.544 . . . . 0.0 111.694 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 172.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -87.42 142.49 27.83 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -140.34 164.14 30.9 Favored 'General case' 0 C--N 1.262 -3.196 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 42.3 mt-30 -135.03 124.15 24.36 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 120.758 0.313 . . . . 0.0 111.333 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.49 131.26 55.67 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.4 133.73 56.12 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -66.24 137.48 57.0 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -99.81 -33.2 10.66 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.943 -174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 11.9 ptp180 -101.45 8.19 42.2 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.475 0.655 . . . . 0.0 111.347 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -78.6 137.02 37.66 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.52 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -116.98 135.44 53.7 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.55 -167.88 32.81 Favored Glycine 0 C--N 1.305 -1.187 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.558 176.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 76.1 Cg_endo -87.88 159.53 7.46 Favored 'Trans proline' 0 N--CA 1.441 -1.594 0 C-N-CA 122.544 2.163 . . . . 0.0 111.885 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.22 10.96 3.13 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.225 0.61 . . . . 0.0 112.354 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 81.4 mt -62.0 -24.12 66.85 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.065 0.546 . . . . 0.0 111.028 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -94.83 99.17 11.28 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.89 -41.19 97.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.2 m -66.14 -36.12 82.29 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.456 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.43 -49.08 72.88 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.61 -52.96 62.01 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.969 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.84 83.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.384 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -70.17 -35.0 73.69 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.23 -43.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.0 m -62.67 -35.01 78.28 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.625 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 49.6 ttp180 -60.91 -43.46 98.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 176.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -64.59 -36.28 83.72 Favored 'General case' 0 N--CA 1.417 -2.079 0 C-N-CA 123.729 0.812 . . . . 0.0 110.688 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 41.0 mt-10 -80.68 3.3 22.58 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.27 15.7 34.65 Favored Glycine 0 C--O 1.241 0.588 0 C-N-CA 121.377 -0.44 . . . . 0.0 114.191 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 89.2 m-85 -113.19 156.56 42.82 Favored Pre-proline 0 C--N 1.298 -1.67 0 O-C-N 122.35 -0.5 . . . . 0.0 110.557 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.09 -26.61 36.61 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.623 2.215 . . . . 0.0 112.849 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.82 -169.8 41.4 Favored Glycine 0 N--CA 1.43 -1.725 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.14 160.03 27.12 Favored Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . 67.1 ttt180 -144.29 159.94 41.84 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.0 m -76.75 123.55 26.36 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 19.0 tpp180 -130.97 -24.05 2.42 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.131 175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.33 143.07 32.4 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.733 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.388 0.613 . . . . 0.0 110.218 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -91.12 11.37 23.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.747 0.784 . . . . 0.0 109.033 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 72.61 64.03 0.11 Allowed 'General case' 0 CA--C 1.503 -0.845 0 C-N-CA 125.951 1.7 . . . . 0.0 112.63 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -100.4 138.86 36.89 Favored 'General case' 0 C--O 1.258 1.524 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.321 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.08 129.0 37.11 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 7.2 m-85 -123.21 121.44 35.91 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.81 126.96 31.39 Favored 'General case' 0 C--N 1.269 -2.913 0 O-C-N 124.366 1.041 . . . . 0.0 110.911 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -71.39 125.85 28.09 Favored 'General case' 0 N--CA 1.413 -2.316 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -140.69 165.17 28.21 Favored 'General case' 0 N--CA 1.415 -2.185 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -110.08 139.26 45.4 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.3 m . . . . . 0 C--N 1.309 -1.155 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.31 176.231 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 p -83.43 119.03 24.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.002 0.429 . . . . 0.0 110.181 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -115.8 137.53 52.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 1.7 mp0 -104.34 119.86 39.91 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.201 0.524 . . . . 0.0 110.64 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.72 128.9 50.27 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 19.9 pt20 -61.21 137.65 58.23 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 118.167 0.439 . . . . 0.0 111.644 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 10' ' ' PHE . 5.0 m -61.73 149.82 38.61 Favored 'General case' 0 C--O 1.252 1.23 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.414 178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -101.23 -46.43 5.04 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -97.05 26.91 4.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.389 0.614 . . . . 0.0 111.244 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 89.2 t80 -75.42 134.11 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.477 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -132.02 122.51 25.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.935 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.17 -155.23 16.75 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.419 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -92.99 142.56 2.09 Favored 'Trans proline' 0 N--CA 1.443 -1.472 0 C-N-CA 122.857 2.371 . . . . 0.0 112.653 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.42 -11.8 60.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 121.34 0.591 . . . . 0.0 109.971 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.64 -8.5 10.2 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.82 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -111.4 95.62 5.62 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -68.01 -17.26 64.36 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -64.11 -40.94 97.29 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.11 -46.89 66.58 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.998 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -55.75 -54.5 43.66 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.173 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.55 87.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.296 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.43 -51.24 69.53 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.125 0.266 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 10' ' ' PHE . 78.9 t -59.85 -47.23 92.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.627 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.5 -44.24 96.19 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.263 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -60.45 -46.37 90.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.724 0.41 . . . . 0.0 111.356 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -69.93 -24.5 63.37 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.664 0.269 . . . . 0.0 111.061 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -83.69 -4.41 58.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.435 173.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.21 9.15 52.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.958 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -93.57 144.04 27.57 Favored Pre-proline 0 C--N 1.303 -1.431 0 CA-C-N 116.946 0.373 . . . . 0.0 110.487 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.44 -38.23 43.9 Favored 'Trans proline' 0 C--O 1.249 1.04 0 C-N-CA 122.859 2.372 . . . . 0.0 113.741 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.87 -179.14 30.72 Favored Glycine 0 CA--C 1.502 -0.722 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.114 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.46 158.18 28.26 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -153.3 157.69 40.5 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.5 m -77.4 122.93 25.84 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 2.6 tpm_? -127.84 -44.37 1.49 Allowed 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 136.04 31.98 Favored Glycine 0 N--CA 1.432 -1.589 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.119 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.85 -26.36 68.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.115 0.966 . . . . 0.0 110.376 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -82.1 17.83 1.52 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.564 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 61.16 60.98 1.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 125.579 1.552 . . . . 0.0 110.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 40.7 mmt-85 -116.63 137.58 52.07 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.707 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.68 129.12 34.35 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.798 -1.547 . . . . 0.0 109.637 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 3.6 m-85 -117.77 117.28 28.89 Favored 'General case' 0 N--CA 1.415 -2.207 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.815 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.1 m -69.17 129.28 39.4 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -90.72 109.18 20.36 Favored 'General case' 0 N--CA 1.406 -2.636 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -109.85 160.94 15.93 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.84 113.55 26.85 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m . . . . . 0 C--N 1.296 -1.738 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.306 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 120.719 0.295 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.9 p -87.76 137.05 32.67 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -129.32 144.26 51.16 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.2 119.76 39.47 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.181 0.515 . . . . 0.0 109.798 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -113.97 123.28 49.35 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 12.8 pt20 -64.9 128.87 37.56 Favored 'General case' 0 C--O 1.246 0.921 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -63.78 116.18 5.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -92.32 -27.36 17.61 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 119.621 -0.831 . . . . 0.0 109.995 -171.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 23' ' ' VAL . 53.6 mtp180 -89.21 11.58 18.35 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.358 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' HG21 ' A' ' 23' ' ' VAL . 61.3 t80 -88.64 146.25 25.21 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.946 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -140.06 139.56 35.95 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.06 -168.64 19.22 Favored Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.471 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -87.25 151.49 8.03 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 p -70.22 -4.39 21.5 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.402 0.62 . . . . 0.0 112.037 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.48 -17.85 64.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.651 0.739 . . . . 0.0 109.553 176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . 15.5 mmm180 -84.24 91.41 7.72 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.16 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -65.17 -44.25 89.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.758 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -60.66 -38.87 86.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 13.4 m120 -69.56 -46.73 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.7 m -56.59 -51.42 68.72 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.736 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.33 95.79 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.844 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -59.31 -50.01 75.64 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.131 0.27 . . . . 0.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 9' ' ' ARG . 53.3 t -63.63 -50.95 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.076 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 99.2 m -59.9 -42.68 94.37 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 28.9 ttm180 -69.4 -34.6 74.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.987 -177.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -77.78 -20.97 52.41 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.04 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.99 -7.44 58.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.42 15.56 18.87 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 121.035 -0.603 . . . . 0.0 113.372 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.8 m-85 -110.77 165.34 12.86 Favored Pre-proline 0 C--N 1.301 -1.511 0 C-N-CA 123.075 0.55 . . . . 0.0 110.455 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -72.74 -57.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.507 2.138 . . . . 0.0 112.15 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.35 174.77 35.55 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.39 157.03 23.8 Favored Glycine 0 N--CA 1.437 -1.299 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -155.72 167.94 28.77 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.9 123.91 18.51 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.609 0.764 . . . . 0.0 111.473 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -148.93 -34.3 0.2 Allowed 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.445 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.84 144.9 48.86 Favored Glycine 0 N--CA 1.428 -1.865 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.09 -27.61 68.88 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -92.55 19.73 7.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.419 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 60.92 43.72 11.39 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 122.276 1.036 . . . . 0.0 110.087 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -96.35 152.74 18.31 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 114.152 -1.386 . . . . 0.0 109.785 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -88.0 135.27 33.49 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.04 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' GLN . 4.9 m-85 -124.21 138.61 54.39 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.93 130.16 34.99 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 m -85.84 112.98 21.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.7 t -125.98 170.12 12.03 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -110.37 144.62 38.86 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.289 -2.044 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -87.4 125.48 34.3 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.469 0.652 . . . . 0.0 110.812 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.76 133.21 55.34 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 78.2 mt-30 -107.59 128.02 54.16 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -129.51 140.56 51.22 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.51 156.97 30.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.056 0.844 . . . . 0.0 111.211 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' PHE . 33.6 t -79.94 137.5 36.88 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 171.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -96.9 -39.92 9.16 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.906 -175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 17.1 ptp180 -91.24 16.47 9.88 Favored 'General case' 0 C--O 1.25 1.092 0 CA-C-O 121.252 0.548 . . . . 0.0 110.821 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 66.4 t80 -80.22 150.13 30.19 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 110.473 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -140.3 130.03 24.41 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.748 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.6 -166.47 15.96 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 123.553 0.533 . . . . 0.0 111.948 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -89.62 148.52 5.09 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.875 2.383 . . . . 0.0 111.782 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -67.39 -15.75 63.85 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 111.554 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.77 -21.99 57.02 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.706 0.802 . . . . 0.0 111.159 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -82.97 75.34 9.86 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -54.83 -46.97 74.67 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.5 -34.85 78.69 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.93 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.39 -36.24 58.2 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.034 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.54 -46.31 90.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.76 89.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.274 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.63 -51.43 68.73 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.554 0.742 . . . . 0.0 111.692 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 86.2 t -64.64 -46.63 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.076 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -57.6 -38.57 75.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.053 0.454 . . . . 0.0 110.706 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 38.9 ttm180 -70.12 -33.42 71.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.839 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -71.83 -27.78 63.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.376 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 41.8 mt-10 -78.91 -20.12 50.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.113 0.483 . . . . 0.0 110.094 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.54 32.69 2.45 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.834 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 85.3 m-85 -120.24 163.22 29.67 Favored Pre-proline 0 C--N 1.309 -1.176 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.25 -54.72 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.41 2.073 . . . . 0.0 112.895 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.37 -179.71 37.15 Favored Glycine 0 N--CA 1.438 -1.192 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.183 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.91 162.03 24.92 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -156.5 176.77 12.27 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.746 0.419 . . . . 0.0 110.855 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 123.357 0.663 . . . . 0.0 111.811 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 12.5 ptm180 -156.73 2.73 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 172.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.75 144.71 17.29 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 119.596 -1.287 . . . . 0.0 112.493 -171.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.32 -36.52 68.8 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 123.133 0.573 . . . . 0.0 109.955 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -83.54 13.17 4.75 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.402 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 60.07 47.64 9.38 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.598 0.713 . . . . 0.0 109.998 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -89.5 131.88 35.32 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.646 -173.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.6 t -73.35 117.86 15.6 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.839 0.712 . . . . 0.0 109.343 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 39.9 m-85 -110.79 118.19 35.46 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 121.457 0.646 . . . . 0.0 112.167 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.83 121.79 24.57 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.207 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -89.36 106.28 18.35 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 t -109.11 168.38 9.41 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -110.32 119.96 40.89 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.296 -176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 173.152 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 p -98.6 147.36 24.89 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -127.2 150.26 49.61 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 89.3 mt-30 -113.17 119.35 37.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.557 0.694 . . . . 0.0 111.539 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -120.34 125.27 47.61 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.611 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 29.6 tt0 -59.49 137.19 58.09 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 123.116 0.567 . . . . 0.0 112.126 -174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 t -69.71 130.7 43.07 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -86.02 -34.42 20.77 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -173.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NE ' ' HG2' ' A' ' 27' ' ' GLU . 18.9 ptp180 -109.47 17.91 20.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.314 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HA ' HG11 ' A' ' 23' ' ' VAL . 89.8 t80 -72.78 145.67 46.88 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.974 0.416 . . . . 0.0 111.005 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -136.2 149.33 48.52 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.31 30.68 Favored Glycine 0 N--CA 1.426 -2.029 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.195 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -88.85 136.17 3.01 Favored 'Trans proline' 0 N--CA 1.438 -1.792 0 C-N-CA 122.758 2.305 . . . . 0.0 112.304 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -63.83 -19.91 65.39 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.114 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.13 -31.51 31.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.495 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -80.54 90.73 5.71 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.46 -26.81 68.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.972 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -65.01 -45.52 85.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 59.7 t30 -67.31 -50.15 61.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.458 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.92 -52.46 64.04 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.225 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.36 96.51 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.481 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 88.7 m-20 -70.14 -34.9 73.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 10' ' ' PHE . 95.6 t -67.03 -45.73 86.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.054 -0.659 . . . . 0.0 109.532 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.66 -40.25 82.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.031 0.443 . . . . 0.0 110.64 175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 64.0 ttt180 -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 124.586 1.154 . . . . 0.0 110.241 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.2 m -68.37 -29.62 68.37 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 124.086 0.954 . . . . 0.0 111.025 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HG2' ' NE ' ' A' ' 9' ' ' ARG . 25.4 mt-10 -83.94 -0.6 52.11 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.169 -0.332 . . . . 0.0 111.408 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.25 19.85 27.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.52 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 84.4 m-85 -110.12 160.57 27.74 Favored Pre-proline 0 C--N 1.303 -1.453 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 44' ' ' THR . 24.5 Cg_exo -66.5 -43.79 7.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.606 2.204 . . . . 0.0 112.538 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.23 -170.96 38.11 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.68 28.89 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.712 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -147.49 158.48 44.01 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.66 122.34 28.48 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 8.8 tpt180 -89.3 -73.08 0.52 Allowed 'General case' 0 C--N 1.303 -1.439 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.833 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.39 164.86 51.27 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.677 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -67.72 -19.6 65.16 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.395 1.078 . . . . 0.0 110.805 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -79.48 5.12 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.159 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 54.96 77.32 0.22 Allowed 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 125.964 1.706 . . . . 0.0 112.523 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtm-85 -117.22 137.34 52.43 Favored 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -77.17 114.17 15.69 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 124.195 0.935 . . . . 0.0 110.757 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 31.0 m-85 -110.79 115.52 29.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.338 176.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -72.42 130.99 41.99 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.384 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 33.4 m -90.89 114.06 26.41 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.1 t -109.85 161.66 15.24 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -93.38 120.34 33.56 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.295 -1.802 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.515 0.198 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -123.66 144.77 49.42 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.5 m -136.92 145.04 43.8 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 96.6 mt-30 -136.29 131.03 33.86 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.145 0.498 . . . . 0.0 110.819 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -129.53 138.65 51.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.503 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 11.6 pt20 -75.93 146.7 39.48 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.24 -0.984 . . . . 0.0 111.116 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . 41.0 t -67.14 146.7 53.98 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.996 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -97.01 -23.17 16.4 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.416 0.626 . . . . 0.0 110.584 -176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -126.15 32.16 5.28 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.676 0.75 . . . . 0.0 110.511 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 20' ' ' CYS . 56.5 t80 -76.98 149.71 35.91 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.135 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -106.26 114.07 27.98 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.913 0.885 . . . . 0.0 110.154 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 -160.8 41.47 Favored Glycine 0 C--N 1.318 -0.425 0 C-N-CA 121.43 -0.414 . . . . 0.0 112.826 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HB2' HD23 ' A' ' 15' ' ' LEU . 92.4 Cg_endo -89.58 160.25 5.32 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.876 2.384 . . . . 0.0 111.704 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.26 -8.62 18.58 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 13' ' ' PRO . 3.4 mm? -65.33 -15.92 63.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -176.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 1.5 mmp_? -97.51 94.73 7.18 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -63.05 -36.36 83.3 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -170.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.4 m -75.25 -27.09 59.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.492 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -72.63 -42.29 64.59 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 18.9 t -60.85 -49.96 75.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.47 99.51 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.22 -47.67 84.49 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 10' ' ' PHE . 39.4 t -73.48 -39.42 54.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.531 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 97.5 m -59.1 -40.23 84.69 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -59.33 -44.63 92.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.355 0.662 . . . . 0.0 110.23 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -68.27 -26.13 65.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -90.81 -0.25 57.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 119.972 -0.691 . . . . 0.0 112.037 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.4 24.96 10.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.505 0.562 . . . . 0.0 114.505 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 78.2 m-85 -115.04 143.06 29.47 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.98 -14.15 32.04 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.45 2.767 . . . . 0.0 114.703 -176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.45 167.82 39.56 Favored Glycine 0 CA--C 1.503 -0.716 0 C-N-CA 119.924 -1.131 . . . . 0.0 112.387 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.92 144.02 14.11 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -140.84 177.05 8.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.3 m -88.16 134.65 33.72 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 18.9 tpp180 -150.95 -43.35 0.12 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.879 0.371 . . . . 0.0 110.369 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.47 145.52 37.45 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.923 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 124.653 1.181 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 40' ' ' ARG . 30.9 mmt180 -83.09 13.44 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.264 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 64.62 40.76 5.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.837 0.855 . . . . 0.0 108.977 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 38' ' ' ARG . 31.4 mmm180 -89.22 141.71 28.29 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.911 -175.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.74 112.23 7.68 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 124.221 0.951 . . . . 0.0 109.168 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.9 m-85 -103.21 113.88 27.72 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-O 122.008 0.909 . . . . 0.0 110.778 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -75.51 122.1 23.36 Favored 'General case' 0 C--N 1.268 -2.967 0 CA-C-N 113.71 -1.586 . . . . 0.0 108.89 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.9 m -85.95 126.27 33.99 Favored 'General case' 0 N--CA 1.412 -2.347 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.571 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 15.4 t -144.39 171.61 14.1 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -111.59 144.33 41.01 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--N 1.292 -1.927 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.247 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -135.5 169.26 17.79 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -140.43 145.74 37.39 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 45.2 mt-30 -104.6 119.22 38.47 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -110.78 137.59 48.24 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.741 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 55.1 tp60 -63.33 130.14 43.24 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.966 0.413 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.4 m -77.22 99.98 5.65 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -75.04 -27.86 60.21 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -99.55 16.93 21.74 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.148 0.499 . . . . 0.0 110.55 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -83.22 124.01 30.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.73 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -111.51 141.05 45.58 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.742 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.39 -172.58 34.81 Favored Glycine 0 N--CA 1.427 -1.903 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -90.13 159.41 4.78 Favored 'Trans proline' 0 N--CA 1.442 -1.524 0 C-N-CA 122.527 2.151 . . . . 0.0 111.248 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.61 -6.09 23.73 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.615 0.245 . . . . 0.0 111.379 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.8 -36.68 62.73 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 121.367 0.603 . . . . 0.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -87.81 83.03 7.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.19 -15.67 63.45 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -177.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -64.21 -37.87 89.03 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 174.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.24 -49.52 64.13 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -54.02 -54.16 43.06 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.422 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -40.05 95.09 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -59.45 -50.56 73.44 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.119 0.262 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.95 -55.07 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -59.11 -42.5 90.69 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -65.17 -43.66 91.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 122.515 0.326 . . . . 0.0 110.995 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -73.83 -27.75 61.26 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.716 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.32 -7.81 57.68 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.729 0.3 . . . . 0.0 111.248 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.74 15.3 24.91 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.603 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 78.5 m-85 -101.21 149.12 36.02 Favored Pre-proline 0 C--N 1.301 -1.529 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.61 -24.7 35.29 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.749 2.299 . . . . 0.0 113.52 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.54 174.45 46.85 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.443 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.68 146.62 18.4 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -133.96 159.26 41.28 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -82.16 149.98 27.66 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -129.05 -77.4 0.56 Allowed 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.868 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.97 -179.79 47.24 Favored Glycine 0 C--O 1.244 0.749 0 C-N-CA 120.429 -0.891 . . . . 0.0 114.749 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -62.67 -30.98 71.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.172 1.389 . . . . 0.0 111.235 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -75.43 -1.45 24.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 63.14 50.33 3.08 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.795 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 6' ' ' GLN . 72.8 mtt180 -88.99 155.69 19.34 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -95.01 134.05 38.11 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 57.9 m-85 -126.13 119.66 28.12 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.17 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.66 120.62 14.94 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.968 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 m -86.84 106.62 17.86 Favored 'General case' 0 N--CA 1.414 -2.245 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 15.0 t -109.93 175.39 5.46 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.277 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.83 143.29 26.42 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 123.166 0.586 . . . . 0.0 111.72 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.309 -1.19 0 CA-C-O 119.044 -0.503 . . . . 0.0 109.982 174.342 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.988 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -90.73 153.16 20.47 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -139.67 138.38 36.01 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.216 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 2.1 mp0 -122.23 123.95 42.67 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.401 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -120.35 132.76 55.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -50.75 123.65 9.42 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.745 1.218 . . . . 0.0 111.908 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 t -79.97 118.88 22.11 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -77.12 -45.4 27.01 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.183 0.516 . . . . 0.0 110.681 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -88.01 18.35 4.3 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -92.16 139.36 30.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -126.2 123.56 38.47 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.494 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.94 -163.36 12.96 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.191 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -86.6 136.34 4.5 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 122.588 2.192 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.5 p -67.34 -7.23 23.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.392 0.677 . . . . 0.0 111.86 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.87 -23.4 66.26 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.186 0.594 . . . . 0.0 111.401 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -83.66 90.62 7.31 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 8.3 tpp180 -56.83 -42.84 80.35 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.285 -171.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -66.64 -36.93 83.76 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 123.669 0.605 . . . . 0.0 111.069 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -71.21 -45.06 64.16 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.889 0.376 . . . . 0.0 110.327 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.6 -49.87 76.07 Favored 'General case' 0 C--O 1.261 1.672 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--O 1.194 -1.852 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.959 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.32 -48.21 81.28 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.5 -50.07 79.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 CA-C-O 121.163 0.506 . . . . 0.0 109.656 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.06 -36.76 84.65 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.528 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 39.8 ttm180 -70.18 -39.97 74.95 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -69.46 -24.23 63.77 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -82.1 4.46 23.04 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.72 8.44 55.82 Favored Glycine 0 C--O 1.238 0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 114.51 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 90.6 m-85 -98.36 154.45 37.59 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 122.307 -0.525 . . . . 0.0 110.975 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 44' ' ' THR . 50.4 Cg_exo -57.63 -46.08 29.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.313 2.009 . . . . 0.0 110.981 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.79 -165.25 24.86 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.603 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.81 140.61 8.78 Favored Glycine 0 C--O 1.25 1.156 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 18.0 ptp180 -130.68 178.12 6.87 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.01 145.22 24.88 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -150.37 -44.87 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.89 128.74 29.26 Favored Glycine 0 N--CA 1.434 -1.448 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.29 -24.06 66.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 123.753 0.821 . . . . 0.0 112.145 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -82.53 15.65 2.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.503 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 67.08 48.2 1.26 Allowed 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 124.68 1.192 . . . . 0.0 110.205 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -101.83 145.21 29.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.926 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.6 t -81.91 130.0 34.94 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.739 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.4 m-85 -120.55 122.09 39.82 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.024 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.35 129.56 40.29 Favored 'General case' 0 C--N 1.285 -2.218 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.756 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 m -90.98 124.23 35.06 Favored 'General case' 0 N--CA 1.417 -2.118 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.358 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -130.95 162.31 30.01 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -110.23 122.83 48.57 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.621 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 1' ' ' ARG . 90.0 m . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 CA--C 1.493 -1.237 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p -104.11 109.44 21.24 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.49 118.77 18.71 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.365 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 76.6 mt-30 -117.06 119.3 34.84 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.226 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -119.61 131.02 55.39 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 11.5 pt20 -69.41 134.72 49.33 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.042 0.448 . . . . 0.0 111.803 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -75.58 118.67 18.68 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.231 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -73.83 -32.36 63.65 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.824 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -91.04 1.43 57.09 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.993 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.15 140.06 54.68 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -110.14 126.16 53.78 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.95 -161.25 37.88 Favored Glycine 0 N--CA 1.436 -1.307 0 C-N-CA 120.579 -0.819 . . . . 0.0 113.202 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD13 ' A' ' 15' ' ' LEU . 91.9 Cg_endo -90.23 157.36 4.67 Favored 'Trans proline' 0 N--CA 1.439 -1.695 0 C-N-CA 122.74 2.294 . . . . 0.0 112.996 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.3 6.58 1.66 Allowed 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.531 1.132 . . . . 0.0 112.573 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 13' ' ' PRO . 8.0 mp -71.26 -15.44 62.43 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.868 0.842 . . . . 0.0 110.081 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -94.53 92.59 7.16 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -66.21 -36.64 83.56 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.64 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -61.47 -47.6 84.96 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.426 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -64.94 -40.29 94.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.894 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.19 -55.66 26.4 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.184 0.516 . . . . 0.0 110.828 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.84 82.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.055 -0.403 . . . . 0.0 111.21 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -74.5 -35.62 63.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.819 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.95 -42.0 88.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.016 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.51 -40.57 95.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 -43.31 99.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -69.28 -26.76 64.91 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.86 -18.98 45.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.103 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.96 19.88 9.23 Favored Glycine 0 C--N 1.312 -0.788 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.467 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 65.1 m-85 -104.43 141.62 22.92 Favored Pre-proline 0 C--N 1.306 -1.303 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.6 -31.6 49.88 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.966 2.444 . . . . 0.0 114.335 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.47 171.67 31.01 Favored Glycine 0 CA--C 1.506 -0.5 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.072 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.07 134.64 4.52 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.44 161.35 38.28 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 117.016 0.408 . . . . 0.0 110.99 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.7 m -78.39 138.55 38.57 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -145.29 -62.57 0.34 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.629 0.252 . . . . 0.0 111.301 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.71 140.83 43.28 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 115.393 -0.822 . . . . 0.0 113.683 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -54.08 -33.9 58.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.414 1.086 . . . . 0.0 111.565 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.56 11.91 0.72 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.473 0.709 . . . . 0.0 111.853 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 64.04 43.43 5.15 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.976 1.31 . . . . 0.0 110.245 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -94.41 157.29 16.08 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.569 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -92.9 123.18 35.98 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.443 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 9.3 m-85 -109.4 114.38 27.98 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-O 121.782 0.801 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 74.0 m -75.58 120.69 21.33 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.413 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -87.44 116.22 25.4 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.449 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 9.2 t -109.77 163.76 13.2 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -81.41 132.93 35.35 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -135.61 147.12 48.55 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 121.478 0.656 . . . . 0.0 109.24 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.608 ' HB2' HG23 ' A' ' 45' ' ' THR . 74.6 m -140.21 136.99 33.96 Favored 'General case' 0 C--N 1.273 -2.719 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -127.63 118.88 24.72 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.581 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -114.46 134.59 54.89 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.47 136.15 56.08 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 120.191 -0.603 . . . . 0.0 111.202 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 t -60.25 145.0 48.96 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.59 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -100.78 -14.36 18.06 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -135.1 10.65 3.56 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 118.604 -1.238 . . . . 0.0 113.023 -175.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -67.56 136.77 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.675 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -97.49 126.56 42.83 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.812 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.75 -168.85 54.82 Favored Glycine 0 C--O 1.246 0.858 0 CA-C-N 115.751 -0.659 . . . . 0.0 113.04 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.59 159.16 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.528 2.152 . . . . 0.0 111.382 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.07 10.74 0.19 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 125.022 1.329 . . . . 0.0 112.762 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.89 -28.18 61.57 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.928 -0.482 . . . . 0.0 111.557 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -100.66 85.48 2.93 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -67.38 -34.46 77.33 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.271 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -62.74 -41.45 99.19 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -68.84 -38.57 79.89 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.713 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.66 -51.42 67.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.17 0.588 . . . . 0.0 110.316 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.5 98.65 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.361 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.84 -44.45 94.07 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 69.0 t -63.95 -50.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -59.31 -38.59 80.63 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.213 0.321 . . . . 0.0 111.193 176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.62 -40.55 92.3 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.649 0.78 . . . . 0.0 110.954 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -75.2 -22.9 57.65 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.097 0.475 . . . . 0.0 111.779 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 36.9 mt-10 -79.82 -12.6 59.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.445 0.641 . . . . 0.0 109.551 175.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.63 22.76 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.52 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 70.2 m-85 -102.85 141.5 22.61 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 122.391 -0.476 . . . . 0.0 111.243 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -59.61 -46.44 20.56 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.956 2.437 . . . . 0.0 113.728 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.43 172.24 18.13 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 119.858 -1.163 . . . . 0.0 112.466 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.54 121.86 1.07 Allowed Glycine 0 C--N 1.299 -1.502 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -149.67 175.73 11.3 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.0 m -83.46 119.88 25.22 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HB3' ' CG ' ' A' ' 42' ' ' PHE . 25.9 tpt180 -124.43 -36.57 2.62 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.933 0.397 . . . . 0.0 110.253 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.2 143.17 35.49 Favored Glycine 0 N--CA 1.433 -1.547 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -59.83 -36.43 76.8 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.563 0.745 . . . . 0.0 109.849 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.55 23.59 1.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.711 -177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 64.54 49.72 2.33 Favored 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 123.894 0.878 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -93.94 128.82 40.46 Favored 'General case' 0 C--O 1.253 1.279 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -67.25 124.96 24.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.293 0.995 . . . . 0.0 110.281 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CG ' ' HB3' ' A' ' 35' ' ' ARG . 7.4 m-85 -120.34 133.48 55.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.757 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -81.0 122.22 27.02 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.173 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 m -92.47 106.75 18.68 Favored 'General case' 0 N--CA 1.401 -2.887 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 3' ' ' CYS . 10.5 t -109.93 154.06 23.63 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.019 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -110.28 110.11 20.81 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.434 -1.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -177.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -85.42 113.44 21.71 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 121.2 0.524 . . . . 0.0 111.186 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -118.88 133.97 55.48 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.0 mt-30 -122.14 119.6 31.78 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -113.1 128.81 56.59 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -55.77 133.09 50.78 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 123.139 0.575 . . . . 0.0 111.219 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -73.17 137.4 45.08 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -107.56 -7.34 16.54 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.254 0.55 . . . . 0.0 111.091 -173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -123.25 17.59 9.87 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.378 0.609 . . . . 0.0 111.356 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.48 144.47 29.54 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.86 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -131.91 129.74 40.7 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.592 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.24 -164.62 14.93 Favored Glycine 0 N--CA 1.427 -1.914 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -92.75 151.41 2.78 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.623 2.215 . . . . 0.0 111.658 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.33 -5.23 17.58 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.105 0.479 . . . . 0.0 111.185 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.52 -28.28 69.84 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.555 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -84.38 82.81 8.22 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.38 -30.75 71.6 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.837 -173.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 p -62.17 -50.01 73.54 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.24 0.543 . . . . 0.0 109.859 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -66.62 -40.96 89.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.767 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.37 -50.09 74.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.537 0.735 . . . . 0.0 109.681 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.66 90.15 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 10.4 t30 -68.89 -40.18 79.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.7 -41.62 82.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -62.51 -32.19 73.08 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.015 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.0 ttm180 -64.14 -41.6 97.14 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.989 0.515 . . . . 0.0 109.707 174.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -71.7 -18.36 62.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.42 0.629 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -92.17 2.77 56.4 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.041 0.448 . . . . 0.0 111.371 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.96 33.6 12.09 Favored Glycine 0 C--O 1.225 -0.452 0 CA-C-N 115.861 -0.609 . . . . 0.0 114.419 175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.36 163.81 26.44 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 117.626 0.713 . . . . 0.0 111.068 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 44' ' ' THR . 7.7 Cg_exo -71.35 -28.14 18.56 Favored 'Trans proline' 0 C--N 1.365 1.444 0 C-N-CA 122.698 2.266 . . . . 0.0 112.787 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.27 179.45 48.23 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.424 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.1 167.84 15.34 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -151.35 159.56 44.22 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.29 127.01 31.53 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -150.36 -39.21 0.14 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.68 134.5 51.32 Favored Glycine 0 N--CA 1.429 -1.772 0 O-C-N 123.976 0.797 . . . . 0.0 111.957 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.14 -32.15 67.89 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.452 0.701 . . . . 0.0 110.479 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -92.95 21.93 5.33 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.31 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 67.49 41.43 2.38 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.401 1.08 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -94.54 149.41 21.27 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.5 t -81.31 128.67 34.08 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 124.111 0.882 . . . . 0.0 110.959 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 6.3 m-85 -118.16 132.89 56.3 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.34 175.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.42 123.2 28.92 Favored 'General case' 0 C--N 1.269 -2.903 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.7 m -86.25 125.11 33.34 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.0 t -132.92 168.24 18.79 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.43 126.77 53.26 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.287 -2.127 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.794 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 . . . . . 0 C--O 1.236 0.348 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 p -109.17 117.73 34.89 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.758 0.314 . . . . 0.0 110.26 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.3 m -102.77 141.34 35.74 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 83.0 mm-40 -111.73 119.54 38.97 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -115.09 128.72 56.41 Favored 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.41 134.03 56.67 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -60.28 153.91 21.31 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.227 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -104.23 -28.46 11.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 120.968 0.413 . . . . 0.0 110.052 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 13.3 ptm180 -119.94 28.29 8.18 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.207 0.527 . . . . 0.0 111.846 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -78.81 151.29 32.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -139.09 136.47 35.24 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 122.42 0.288 . . . . 0.0 110.247 -176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.95 -157.34 37.29 Favored Glycine 0 C--N 1.311 -0.812 0 O-C-N 123.5 0.5 . . . . 0.0 113.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.51 152.0 11.84 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 122.922 2.415 . . . . 0.0 112.63 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 t -74.92 -7.38 53.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 0.0 110.646 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.92 -25.04 64.82 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.348 0.594 . . . . 0.0 110.121 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -82.42 85.16 6.96 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -67.11 -31.57 72.12 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.696 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -64.83 -40.53 95.34 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.751 0.786 . . . . 0.0 109.266 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -66.37 -49.19 67.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.351 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -54.28 -51.97 62.91 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 123.886 0.741 . . . . 0.0 110.58 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.48 87.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.704 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.59 -42.83 73.91 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.793 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.09 -52.68 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.03 -36.99 75.91 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.775 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -65.71 -43.83 87.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.5 p -68.75 -20.93 64.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.105 0.479 . . . . 0.0 111.786 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 36.2 mt-10 -90.56 5.33 48.28 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.947 0.404 . . . . 0.0 111.766 175.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.29 34.65 22.77 Favored Glycine 0 C--O 1.24 0.515 0 CA-C-N 116.176 -0.466 . . . . 0.0 113.795 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 81.1 m-85 -118.87 147.5 42.5 Favored Pre-proline 0 C--N 1.299 -1.591 0 O-C-N 122.7 -0.294 . . . . 0.0 110.669 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 44' ' ' THR . 52.2 Cg_exo -56.7 -36.22 98.19 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.52 2.814 . . . . 0.0 113.339 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.23 -179.26 43.0 Favored Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.193 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.94 149.67 19.95 Favored Glycine 0 N--CA 1.442 -0.911 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.9 157.19 46.48 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.09 122.08 40.79 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 30.5 ptt180 -137.03 3.72 2.68 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.895 -1.122 . . . . 0.0 111.354 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' HD3' ' A' ' 39' ' ' ARG . . . -93.51 158.9 23.78 Favored Glycine 0 C--N 1.31 -0.864 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.751 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -69.45 -37.5 77.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.746 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -86.54 4.54 39.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.726 0.774 . . . . 0.0 109.25 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 21.5 mmt180 61.79 79.97 0.24 Allowed 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 125.805 1.642 . . . . 0.0 109.632 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -104.83 151.18 24.12 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.436 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -84.49 128.74 34.76 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.172 0.92 . . . . 0.0 109.161 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 70.1 m-85 -119.91 124.95 47.26 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.757 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -82.34 123.39 29.04 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.683 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 24.3 m -79.39 119.56 22.58 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.434 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 9.4 t -129.51 162.0 29.16 Favored 'General case' 0 N--CA 1.412 -2.352 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -87.42 139.65 30.33 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.296 -1.745 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.154 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 p -92.69 166.82 12.28 Favored 'General case' 0 N--CA 1.419 -1.975 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.0 m -123.18 152.32 41.33 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 81.9 mt-30 -122.51 151.13 41.66 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.859 -173.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -138.86 126.38 21.83 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' PHE . 3.8 pt20 -71.57 144.19 49.62 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.015 -0.674 . . . . 0.0 112.337 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.531 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.3 t -93.78 142.81 26.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -96.83 -30.11 13.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.436 0.636 . . . . 0.0 111.704 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -80.91 2.25 27.47 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -84.15 137.6 33.44 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -140.01 134.49 31.52 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.699 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.67 -167.41 13.09 Favored Glycine 0 N--CA 1.433 -1.519 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -175.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -89.94 140.98 3.56 Favored 'Trans proline' 0 N--CA 1.441 -1.606 0 C-N-CA 122.233 1.956 . . . . 0.0 112.247 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.64 -4.29 14.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.66 -20.75 66.42 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.87 0.843 . . . . 0.0 108.902 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.0 mmp_? -82.74 74.84 9.68 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 168.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -58.97 -34.29 71.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.984 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -69.59 -40.79 76.48 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.529 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.87 -40.91 87.98 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -57.9 -48.67 79.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.956 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.67 94.96 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.13 -44.2 92.94 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.15 -45.5 93.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m -62.73 -36.85 84.35 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.341 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' NH2' ' HA ' ' A' ' 30' ' ' PRO . 21.3 tpp180 -60.3 -46.2 90.69 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 122.419 0.288 . . . . 0.0 110.276 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 p -66.69 -26.1 66.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.16 -12.09 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.17 14.69 27.85 Favored Glycine 0 C--N 1.312 -0.801 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.867 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.07 149.58 41.13 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 116.867 0.333 . . . . 0.0 110.667 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HA ' ' NH2' ' A' ' 25' ' ' ARG . 18.4 Cg_endo -60.19 -33.42 94.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.452 2.768 . . . . 0.0 114.632 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.54 -172.22 39.45 Favored Glycine 0 CA--C 1.496 -1.109 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.092 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.86 147.53 18.62 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -128.98 173.14 10.7 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.2 m -91.31 126.46 36.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' PHE . 30.7 ttm180 -131.54 -54.53 1.02 Allowed 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.64 137.41 39.42 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.065 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -31.69 66.22 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.209 1.004 . . . . 0.0 112.046 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -84.33 30.15 0.55 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.222 0.534 . . . . 0.0 110.358 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 51.65 54.71 10.52 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.303 1.441 . . . . 0.0 111.442 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -89.91 136.24 33.16 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.825 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -81.26 110.85 17.12 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.043 0.84 . . . . 0.0 109.941 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 18.4 m-85 -103.05 108.48 19.67 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.468 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 77.6 m -66.73 124.81 23.93 Favored 'General case' 0 C--N 1.279 -2.481 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.153 -178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m -81.23 131.02 35.27 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.913 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -129.11 151.16 50.09 Favored 'General case' 0 N--CA 1.401 -2.886 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 30' ' ' PRO . 65.7 m80 -70.88 114.44 8.94 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.295 -1.786 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.325 -171.215 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 . . . . . 0 CA--C 1.497 -1.093 0 CA-C-O 120.902 0.382 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -95.8 154.96 16.95 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.0 m -132.53 135.41 45.96 Favored 'General case' 0 C--N 1.258 -3.411 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 95.7 mt-30 -114.89 119.53 36.88 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-O 121.19 0.519 . . . . 0.0 110.361 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -117.42 130.12 56.27 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.73 133.58 54.18 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 123.567 0.542 . . . . 0.0 110.67 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -76.65 95.41 3.95 Favored 'General case' 0 N--CA 1.417 -2.095 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -62.3 -39.56 93.4 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.996 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.06 5.9 20.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.935 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -84.17 143.04 29.89 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -131.85 141.36 49.39 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.13 -179.17 39.28 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.49 149.67 31.07 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 121.696 1.597 . . . . 0.0 110.786 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.13 10.12 2.13 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.975 -0.453 . . . . 0.0 111.931 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 39' ' ' ARG . 97.5 mt -57.79 -28.04 63.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 123.329 0.652 . . . . 0.0 109.716 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -85.8 86.23 7.37 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -63.89 -28.0 69.54 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.249 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -43.91 98.06 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.274 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -73.32 -40.3 64.59 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.06 -52.54 64.88 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.812 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.62 88.24 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.94 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.89 -48.66 80.8 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.146 0.279 . . . . 0.0 110.958 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.82 -50.68 76.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -60.74 -36.64 79.38 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.923 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -61.8 -48.73 79.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -65.77 -25.9 67.47 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.871 0.367 . . . . 0.0 111.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.98 -17.19 59.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.41 26.63 9.86 Favored Glycine 0 N--CA 1.435 -1.412 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.273 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 45' ' ' THR . 60.2 m-85 -113.08 153.82 45.24 Favored Pre-proline 0 C--N 1.31 -1.14 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -53.82 -49.97 15.34 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.659 2.906 . . . . 0.0 113.935 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.47 -177.18 38.8 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 119.598 -1.287 . . . . 0.0 112.583 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -118.73 149.13 18.31 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -139.4 153.75 47.68 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.2 m -102.87 124.25 48.03 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.3 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HG2' ' CD1' ' A' ' 42' ' ' PHE . 28.4 ptt180 -143.18 -9.07 0.77 Allowed 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 119.354 -0.938 . . . . 0.0 110.902 175.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.41 143.04 23.42 Favored Glycine 0 N--CA 1.423 -2.225 0 C-N-CA 119.641 -1.266 . . . . 0.0 110.616 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.65 -27.36 65.93 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -90.16 13.62 14.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 113.769 -1.559 . . . . 0.0 109.485 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 15' ' ' LEU . 99.6 mtt180 61.1 56.61 2.72 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.399 1.079 . . . . 0.0 111.144 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -95.91 141.49 29.28 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.838 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -86.51 129.37 34.89 Favored 'General case' 0 C--N 1.31 -1.14 0 O-C-N 124.318 1.011 . . . . 0.0 108.633 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 35' ' ' ARG . 65.1 m-85 -122.11 121.56 37.21 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.79 120.97 16.34 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.401 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -85.63 101.38 12.67 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.254 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 14.9 t -114.3 169.77 8.79 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.84 146.18 36.9 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.293 -1.872 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.252 178.225 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 120.981 0.419 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p -105.93 165.17 11.39 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -107.37 149.48 27.8 Favored 'General case' 0 N--CA 1.423 -1.813 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.55 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 48.8 mt-30 -122.22 128.65 51.43 Favored 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 121.031 0.443 . . . . 0.0 111.042 -177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -120.13 143.42 48.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.686 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.55 133.96 51.41 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 122.964 0.506 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 12.2 p -84.61 129.65 34.82 Favored 'General case' 0 C--O 1.257 1.472 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -97.65 -19.31 18.36 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.0 ptm180 -105.26 13.78 29.98 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.265 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD2' HG11 ' A' ' 23' ' ' VAL . 51.9 t80 -75.57 129.08 36.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.645 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -135.18 118.23 16.41 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.822 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.03 -172.93 17.19 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -84.53 140.03 8.13 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 122.355 2.037 . . . . 0.0 112.151 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.58 -18.21 65.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.543 0.687 . . . . 0.0 111.363 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.94 -5.23 11.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.785 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.94 99.0 8.59 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.95 -31.47 68.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.398 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.7 p -58.57 -50.38 73.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.174 0.511 . . . . 0.0 110.226 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.57 -40.08 73.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.382 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.87 -53.81 44.67 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.103 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.91 79.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.593 -0.692 . . . . 0.0 110.984 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.87 -46.78 83.38 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 121.021 -0.271 . . . . 0.0 111.351 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 9' ' ' ARG . 9.5 p -63.4 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.353 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -64.58 -36.7 85.09 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.47 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.8 -41.13 96.03 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.381 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -81.04 -13.38 58.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.832 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' HG2' ' A' ' 9' ' ' ARG . 44.2 mt-10 -90.87 5.6 47.86 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.51 29.87 17.73 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.407 -0.425 . . . . 0.0 113.538 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 96.2 m-85 -118.3 143.27 32.74 Favored Pre-proline 0 C--N 1.303 -1.414 0 O-C-N 122.851 -0.205 . . . . 0.0 110.922 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -70.09 -26.76 25.7 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.713 2.276 . . . . 0.0 113.739 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.16 179.69 31.86 Favored Glycine 0 CA--C 1.504 -0.635 0 C-N-CA 120.079 -1.058 . . . . 0.0 112.012 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.22 11.49 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -153.4 159.55 42.42 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.95 143.53 54.41 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 123.115 0.566 . . . . 0.0 111.015 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -146.33 -41.5 0.2 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.322 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.62 170.74 48.65 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.059 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -83.89 -25.41 30.23 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -81.35 11.79 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.251 -1.341 . . . . 0.0 112.348 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 60.9 48.75 6.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.4 1.08 . . . . 0.0 112.319 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -110.32 135.41 51.09 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.521 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.0 126.83 30.76 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 123.974 0.796 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 8.5 m-85 -110.58 118.21 35.6 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 122.338 1.065 . . . . 0.0 110.543 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 7' ' ' SER . 69.6 m -70.82 122.89 20.73 Favored 'General case' 0 C--N 1.265 -3.095 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.916 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 m -86.03 119.93 26.87 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.827 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 t -127.76 163.39 24.44 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.129 0.49 . . . . 0.0 109.796 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.23 131.91 35.12 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.043 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--N 1.3 -1.556 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.672 175.188 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.559 0.219 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -135.49 159.55 41.24 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.8 m -111.33 121.75 46.07 Favored 'General case' 0 C--N 1.264 -3.145 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 75.3 mt-30 -136.56 133.88 36.88 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -120.59 127.02 51.73 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.48 122.41 17.49 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.555 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 46.7 t -71.05 128.14 34.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.395 0.617 . . . . 0.0 110.649 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -85.68 -30.51 23.12 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.946 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' HG13 ' A' ' 23' ' ' VAL . 12.6 ptp180 -89.44 6.61 40.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -78.97 153.72 30.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -140.05 111.74 7.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 123.029 0.531 . . . . 0.0 111.153 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.52 -152.89 17.54 Favored Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.874 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -91.53 141.99 2.78 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.934 2.422 . . . . 0.0 113.185 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 p -68.73 -4.39 15.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.6 0.76 . . . . 0.0 112.055 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.64 -23.81 65.05 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.458 0.703 . . . . 0.0 111.225 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -84.69 87.21 7.28 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -55.2 -42.99 73.98 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.918 1.287 . . . . 0.0 111.746 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -65.34 -43.86 89.56 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.246 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -70.36 -41.6 72.91 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.888 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.4 t -58.59 -45.86 88.2 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.61 89.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.5 -46.94 87.86 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 120.854 0.359 . . . . 0.0 111.434 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 ' HG3' ' A' ' 9' ' ' ARG . 94.0 t -63.97 -43.21 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.024 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.561 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.0 m -64.57 -32.05 73.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.0 tpm_? -63.37 -48.79 76.44 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -69.14 -23.92 64.02 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 121.169 0.509 . . . . 0.0 110.797 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.92 -14.83 62.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.891 0.476 . . . . 0.0 111.53 173.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.03 20.56 15.86 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.121 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' ' HB ' ' A' ' 45' ' ' THR . 74.7 m-85 -120.03 150.93 52.05 Favored Pre-proline 0 C--N 1.306 -1.307 0 C-N-CA 122.202 0.201 . . . . 0.0 110.603 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.92 -21.07 50.7 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.015 2.477 . . . . 0.0 113.807 -176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.9 167.52 36.08 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 120.529 -0.844 . . . . 0.0 111.292 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.561 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -145.76 143.06 11.22 Favored Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -145.12 169.36 18.31 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.09 139.69 58.03 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.167 0.587 . . . . 0.0 110.959 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 4' ' ' GLN . 31.4 tpt180 -110.02 -61.33 1.67 Allowed 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.517 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.62 -179.47 20.49 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -72.42 -15.37 61.83 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -78.35 12.2 2.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 63.46 28.17 15.33 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.363 1.065 . . . . 0.0 113.61 167.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -90.63 140.68 29.53 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.737 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.8 t -86.42 114.1 22.91 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.077 -176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 24.7 m-85 -108.53 121.63 45.37 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.58 0.705 . . . . 0.0 111.157 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 7' ' ' SER . 51.4 m -80.58 120.75 24.94 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.223 -1.353 . . . . 0.0 108.886 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 m -87.61 136.22 33.04 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 12.8 t -144.08 168.93 18.85 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -110.9 136.42 49.95 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.388 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 . . . . . 0 C--O 1.236 0.389 0 CA-C-O 120.9 0.381 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -99.49 134.18 42.74 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-O 121.552 0.691 . . . . 0.0 112.231 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.79 141.74 46.93 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 42' ' ' PHE . 82.0 mm-40 -114.75 127.36 55.7 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 120.604 0.24 . . . . 0.0 110.488 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -115.88 119.43 35.93 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -58.57 122.62 13.86 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 111.09 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -67.49 113.21 5.15 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.27 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -77.88 -42.83 32.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.281 0.562 . . . . 0.0 111.178 -176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD2' ' CD ' ' A' ' 27' ' ' GLU . 2.9 ptp180 -86.21 15.04 5.56 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -88.06 160.46 17.82 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.03 133.93 30.69 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.62 -154.42 32.61 Favored Glycine 0 N--CA 1.433 -1.544 0 O-C-N 123.402 0.439 . . . . 0.0 112.295 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -94.28 155.39 2.09 Favored 'Trans proline' 0 N--CA 1.435 -1.926 0 C-N-CA 122.915 2.41 . . . . 0.0 112.44 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.22 1.38 7.73 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.613 0.765 . . . . 0.0 111.488 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.84 -25.7 68.4 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.581 0.752 . . . . 0.0 109.461 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.59 69.64 8.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 170.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -60.02 -30.57 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.022 -1.445 . . . . 0.0 113.784 -171.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -66.13 -44.7 83.49 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -66.83 -41.63 87.15 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.842 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -54.7 -53.13 58.93 Favored 'General case' 0 C--O 1.251 1.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.175 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.23 91.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.481 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.63 -36.59 73.52 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.59 -48.83 83.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.2 m -62.55 -39.18 92.82 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.754 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -59.01 -52.23 66.65 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 122.844 0.458 . . . . 0.0 110.692 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -63.76 -29.95 71.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 123.822 0.701 . . . . 0.0 111.619 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' ' 9' ' ' ARG . 37.9 mm-40 -79.75 3.78 18.37 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.13 15.73 47.01 Favored Glycine 0 C--O 1.235 0.18 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.844 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 97.5 m-85 -102.22 140.42 21.14 Favored Pre-proline 0 C--N 1.3 -1.585 0 O-C-N 122.406 -0.467 . . . . 0.0 111.175 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 44' ' ' THR . 37.3 Cg_endo -68.66 -15.48 41.16 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.248 2.632 . . . . 0.0 113.821 177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.38 177.75 44.85 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 119.928 -1.129 . . . . 0.0 112.459 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.82 136.77 6.0 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -141.58 166.96 23.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.455 0.627 . . . . 0.0 112.617 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -89.54 139.68 30.3 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.996 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -124.4 -59.75 1.45 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.671 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.12 167.85 49.97 Favored Glycine 0 C--O 1.251 1.169 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.865 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.63 -19.68 61.41 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.631 0.772 . . . . 0.0 111.907 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -83.43 4.11 29.06 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.647 -0.658 . . . . 0.0 111.182 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 64.82 49.96 2.1 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.885 0.874 . . . . 0.0 112.665 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -89.82 149.85 22.5 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.598 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.7 t -88.51 133.06 34.25 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.502 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 4' ' ' GLN . 44.2 m-85 -124.51 127.23 47.13 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.663 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 71.4 m -79.09 120.89 24.28 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.556 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 28.5 m -84.11 130.33 34.86 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.012 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -134.97 163.81 29.03 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -102.99 134.4 46.5 Favored 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.29 -2.016 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 176.025 . . . . . . . . 0 0 . 1 stop_ save_